PubChemLite - Apo-10'-lycopenal (C27H36O)

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=O)/C)/C)/C)C

InChI

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

InChIKey

IVMLONFHZYZDNZ-XILPBBIVSA-N

Compound name

(2E,4E,6E,8E,10E,12E,14E,16E)-4,9,13,17,21-pentamethyldocosa-2,4,6,8,10,12,14,16,20-nonaenal

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	200.4
[M+Na]+	399.26582	201.8
[M-H]-	375.26932	198.1
[M+NH4]+	394.31042	206.9
[M+K]+	415.23976	192.9
[M+H-H2O]+	359.27386	194.2
[M+HCOO]-	421.27480	208.2
[M+CH3COO]-	435.29045	221.6
[M+Na-2H]-	397.25127	191.1
[M]+	376.27605	200.4
[M]-	376.27715	200.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

377.28388

200.4

[M+Na]+

399.26582

201.8

[M-H]-

375.26932

198.1

[M+NH4]+

394.31042

206.9

[M+K]+

415.23976

192.9

[M+H-H2O]+

359.27386

194.2

[M+HCOO]-

421.27480

208.2

[M+CH3COO]-

435.29045

221.6

[M+Na-2H]-

397.25127

191.1

[M]+

376.27605

200.4

[M]-

376.27715

200.4

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

Apo-10'-lycopenal

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe