PubChemLite - Chebi:143064 (C25H36O2)

Structural Information

Molecular Formula

SMILES

CC1=C(C(CC(C1)O)(C)C)/C=C/C(=C\C=C\C(=C\C=C\C=C(\C)/CO)\C)/C

InChI

InChI=1S/C25H36O2/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-24-22(4)16-23(27)17-25(24,5)6/h7-15,23,26-27H,16-18H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13-,21-11-

InChIKey

XVQDCCGQSOTQBN-RXCALXPUSA-N

Compound name

4-[(1E,3Z,5E,7E,9E,11Z)-13-hydroxy-3,7,12-trimethyltrideca-1,3,5,7,9,11-hexaenyl]-3,5,5-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]+	369.27883	198.8
[M+Na]+	391.26077	206.2
[M+NH4]+	386.30537	203.9
[M+K]+	407.23471	197.3
[M-H]-	367.26427	197.1
[M+Na-2H]-	389.24622	198.8
[M]+	368.27100	199.0
[M]-	368.27210	199.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

369.27883

198.8

[M+Na]+

391.26077

206.2

[M+NH4]+

386.30537

203.9

[M+K]+

407.23471

197.3

[M-H]-

367.26427

197.1

[M+Na-2H]-

389.24622

198.8

[M]+

368.27100

199.0

[M]-

368.27210

199.0

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

Chebi:143064

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe