PubChemLite - 10'-apo-beta-carotenal (C27H36O)

Structural Information

Molecular Formula

SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=O)/C)/C

InChI

InChI=1S/C27H36O/c1-22(12-7-8-13-23(2)16-11-21-28)14-9-15-24(3)18-19-26-25(4)17-10-20-27(26,5)6/h7-9,11-16,18-19,21H,10,17,20H2,1-6H3/b8-7+,14-9+,16-11+,19-18+,22-12+,23-13+,24-15+

InChIKey

PJEHRCCPERVGEC-FLHUAPOTSA-N

Compound name

(2E,4E,6E,8E,10E,12E,14E)-4,9,13-trimethyl-15-(2,6,6-trimethylcyclohexen-1-yl)pentadeca-2,4,6,8,10,12,14-heptaenal

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]+	377.28388	202.2
[M+Na]+	399.26582	210.5
[M+NH4]+	394.31042	207.7
[M+K]+	415.23976	199.6
[M-H]-	375.26932	201.5
[M+Na-2H]-	397.25127	203.3
[M]+	376.27605	202.8
[M]-	376.27715	202.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

377.28388

202.2

[M+Na]+

399.26582

210.5

[M+NH4]+

394.31042

207.7

[M+K]+

415.23976

199.6

[M-H]-

375.26932

201.5

[M+Na-2H]-

397.25127

203.3

[M]+

376.27605

202.8

[M]-

376.27715

202.8

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

10'-apo-beta-carotenal

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe