Camelliol c (C30H50O)

Structural Information

Molecular Formula

SMILES

CC1=CC[C@@H](C([C@@H]1CC/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+/t28-,29+/m1/s1

InChIKey

CIDHBCQEXDUWEB-HJSIMFEZSA-N

Compound name

(1S,5R)-4,6,6-trimethyl-5-[(3E,7E,11E)-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]+	427.393446	214.4
[M+Na]+	449.375388	214.8
[M-H]-	425.378894	213.8
[M+NH4]+	444.419993	226.4
[M+K]+	465.349328	208.0
[M+H-H2O]+	409.383430	208.5
[M+HCOO]-	471.384371	224.6
[M+CH3COO]-	485.400021	234.8
[M+Na-2H]-	447.360836	204.0
[M]+	426.38562142	214.6
[M]-	426.38671858	214.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

427.393446

214.4

[M+Na]+

449.375388

214.8

[M-H]-

425.378894

213.8

[M+NH4]+

444.419993

226.4

[M+K]+

465.349328

208.0

[M+H-H2O]+

409.383430

208.5

[M+HCOO]-

471.384371

224.6

[M+CH3COO]-

485.400021

234.8

[M+Na-2H]-

447.360836

204.0

[M]+

426.38562142

214.6

[M]-

426.38671858

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