PubChemLite - 113490-39-4 (C26H42O2)

Structural Information

Molecular Formula

SMILES

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\CCOCC3=C)C

InChI

InChI=1S/C26H42O2/c1-19(8-6-15-25(3,4)27)23-12-13-24-22(9-7-16-26(23,24)5)11-10-21-14-17-28-18-20(21)2/h10-11,19,23-24,27H,2,6-9,12-18H2,1,3-5H3/b21-10-,22-11+/t19-,23-,24+,26-/m1/s1

InChIKey

CCFSYRQFWNVGDG-SDPFTLJPSA-N

Compound name

(6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-[(2Z)-2-(3-methylideneoxan-4-ylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-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]+	387.32576	202.8
[M+Na]+	409.30770	202.8
[M-H]-	385.31120	206.3
[M+NH4]+	404.35230	216.9
[M+K]+	425.28164	197.5
[M+H-H2O]+	369.31574	196.9
[M+HCOO]-	431.31668	209.2
[M+CH3COO]-	445.33233	220.3
[M+Na-2H]-	407.29315	197.5
[M]+	386.31793	195.1
[M]-	386.31903	195.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

387.32576

202.8

[M+Na]+

409.30770

202.8

[M-H]-

385.31120

206.3

[M+NH4]+

404.35230

216.9

[M+K]+

425.28164

197.5

[M+H-H2O]+

369.31574

196.9

[M+HCOO]-

431.31668

209.2

[M+CH3COO]-

445.33233

220.3

[M+Na-2H]-

407.29315

197.5

[M]+

386.31793

195.1

[M]-

386.31903

195.1

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

113490-39-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe