PubChemLite - Camelliol c (C30H50O)

Structural Information

Molecular Formula

SMILES

CC1=CCC(C(C1CC/C(=C\CC/C=C(\C)/CC/C=C(/C)\CCC=C(C)C)/C)(C)C)O

InChI

InChI=1S/C30H50O/c1-23(2)13-11-16-25(4)18-12-17-24(3)14-9-10-15-26(5)19-21-28-27(6)20-22-29(31)30(28,7)8/h13-15,18,20,28-29,31H,9-12,16-17,19,21-22H2,1-8H3/b24-14+,25-18-,26-15-

InChIKey

CIDHBCQEXDUWEB-IVWMLIKNSA-N

Compound name

4,6,6-trimethyl-5-[(3Z,7E,11Z)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]cyclohex-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	214.4
[M+Na]+	449.37539	214.8
[M-H]-	425.37889	213.8
[M+NH4]+	444.41999	226.4
[M+K]+	465.34933	208.0
[M+H-H2O]+	409.38343	208.5
[M+HCOO]-	471.38437	224.6
[M+CH3COO]-	485.40002	234.8
[M+Na-2H]-	447.36084	204.0
[M]+	426.38562	214.6
[M]-	426.38672	214.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

427.39345

214.4

[M+Na]+

449.37539

214.8

[M-H]-

425.37889

213.8

[M+NH4]+

444.41999

226.4

[M+K]+

465.34933

208.0

[M+H-H2O]+

409.38343

208.5

[M+HCOO]-

471.38437

224.6

[M+CH3COO]-

485.40002

234.8

[M+Na-2H]-

447.36084

204.0

[M]+

426.38562

214.6

[M]-

426.38672

214.6

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

Camelliol c

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe