PubChemLite - 5-[(e)-6-(2,4a,7,7-tetramethyl-3,4,5,6,8,8a-hexahydronaphthalen-1-yl)-3-methylhex-3-enyl]-4,6,6-trimethylcyclohex-3-en-1-ol (C30H50O)

Structural Information

Molecular Formula

SMILES

CC1=C(C2CC(CCC2(CC1)C)(C)C)CC/C=C(\C)/CCC3C(=CCC(C3(C)C)O)C

InChI

InChI=1S/C30H50O/c1-21(12-14-25-23(3)13-15-27(31)29(25,6)7)10-9-11-24-22(2)16-17-30(8)19-18-28(4,5)20-26(24)30/h10,13,25-27,31H,9,11-12,14-20H2,1-8H3/b21-10+

InChIKey

HRQSDUTTZIHWJQ-UFFVCSGVSA-N

Compound name

5-[(E)-6-(2,4a,7,7-tetramethyl-3,4,5,6,8,8a-hexahydronaphthalen-1-yl)-3-methylhex-3-enyl]-4,6,6-trimethylcyclohex-3-en-1-ol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	427.39345	208.3
[M+Na]+	449.37539	211.5
[M-H]-	425.37889	212.2
[M+NH4]+	444.41999	225.3
[M+K]+	465.34933	205.5
[M+H-H2O]+	409.38343	201.4
[M+HCOO]-	471.38437	215.9
[M+CH3COO]-	485.40002	234.2
[M+Na-2H]-	447.36084	203.2
[M]+	426.38562	204.6
[M]-	426.38672	204.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

427.39345

208.3

[M+Na]+

449.37539

211.5

[M-H]-

425.37889

212.2

[M+NH4]+

444.41999

225.3

[M+K]+

465.34933

205.5

[M+H-H2O]+

409.38343

201.4

[M+HCOO]-

471.38437

215.9

[M+CH3COO]-

485.40002

234.2

[M+Na-2H]-

447.36084

203.2

[M]+

426.38562

204.6

[M]-

426.38672

204.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

5-[(e)-6-(2,4a,7,7-tetramethyl-3,4,5,6,8,8a-hexahydronaphthalen-1-yl)-3-methylhex-3-enyl]-4,6,6-trimethylcyclohex-3-en-1-ol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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