PubChemLite - (all-e)-6'-apo-y-caroten-6'-al (C32H42O)

Structural Information

Molecular Formula

SMILES

CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=O)/C)/C)/C)C

InChI

InChI=1S/C32H42O/c1-27(2)15-10-18-30(5)21-13-23-31(6)22-11-19-28(3)16-8-9-17-29(4)20-12-24-32(7)25-14-26-33/h8-9,11-17,19-26H,10,18H2,1-7H3/b9-8+,19-11+,20-12+,23-13+,25-14+,28-16+,29-17+,30-21+,31-22+,32-24+

InChIKey

ZXEPHOYZDSLBJV-CQOAVJQGSA-N

Compound name

(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E)-4,8,13,17,21,25-hexamethylhexacosa-2,4,6,8,10,12,14,16,18,20,24-undecaenal

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]+	443.33086	213.1
[M+Na]+	465.31280	228.9
[M-H]-	441.31630	211.0
[M+NH4]+	460.35740	222.9
[M+K]+	481.28674	226.3
[M+H-H2O]+	425.32084	211.1
[M+HCOO]-	487.32178	219.5
[M+CH3COO]-	501.33743	234.2
[M+Na-2H]-	463.29825	204.9
[M]+	442.32303	212.7
[M]-	442.32413	212.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

443.33086

213.1

[M+Na]+

465.31280

228.9

[M-H]-

441.31630

211.0

[M+NH4]+

460.35740

222.9

[M+K]+

481.28674

226.3

[M+H-H2O]+

425.32084

211.1

[M+HCOO]-

487.32178

219.5

[M+CH3COO]-

501.33743

234.2

[M+Na-2H]-

463.29825

204.9

[M]+

442.32303

212.7

[M]-

442.32413

212.7

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

(all-e)-6'-apo-y-caroten-6'-al

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe