PubChemLite - Stellatic alcohol (C25H40O)

Structural Information

Molecular Formula

SMILES

C/C/1=C\CC/C(=C/C[C@]2(CC[C@@H]3[C@H](CC[C@]3([C@@H]2CC1)C)C(=C)C)C)/CO

InChI

InChI=1S/C25H40O/c1-18(2)21-12-16-25(5)22(21)13-15-24(4)14-11-20(17-26)8-6-7-19(3)9-10-23(24)25/h7,11,21-23,26H,1,6,8-10,12-17H2,2-5H3/b19-7+,20-11-/t21-,22-,23-,24+,25-/m1/s1

InChIKey

LMGXWBXLQIDGJE-GXMWUZMMSA-N

Compound name

[(1R,3Z,7E,11R,12R,15S,16R)-1,8,12-trimethyl-15-prop-1-en-2-yl-4-tricyclo[9.7.0.012,16]octadeca-3,7-dienyl]methanol

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]+	357.31520	191.9
[M+Na]+	379.29714	200.5
[M+NH4]+	374.34174	202.5
[M+K]+	395.27108	190.3
[M-H]-	355.30064	194.6
[M+Na-2H]-	377.28259	195.2
[M]+	356.30737	193.9
[M]-	356.30847	193.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

357.31520

191.9

[M+Na]+

379.29714

200.5

[M+NH4]+

374.34174

202.5

[M+K]+

395.27108

190.3

[M-H]-

355.30064

194.6

[M+Na-2H]-

377.28259

195.2

[M]+

356.30737

193.9

[M]-

356.30847

193.9

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

Stellatic alcohol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe