PubChemLite - Apo-4'-lycopenal (C35H46O)

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=C(\C)/C=O)/C)/C)/C)C

InChI

InChI=1S/C35H46O/c1-29(2)16-11-19-32(5)22-14-25-33(6)23-12-20-30(3)17-9-10-18-31(4)21-13-24-34(7)26-15-27-35(8)28-36/h9-10,12-18,20-28H,11,19H2,1-8H3/b10-9+,20-12+,21-13+,25-14+,26-15+,30-17+,31-18+,32-22+,33-23+,34-24+,35-27+

InChIKey

QPKNTQUMMSIKLQ-YMWARTTESA-N

Compound name

(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,4,6,8,10,12,14,16,18,20,22,26-dodecaenal

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]+	483.36214	219.0
[M+Na]+	505.34408	225.6
[M+NH4]+	500.38868	221.3
[M+K]+	521.31802	223.4
[M-H]-	481.34758	215.7
[M+Na-2H]-	503.32953	224.5
[M]+	482.35431	219.1
[M]-	482.35541	219.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

483.36214

219.0

[M+Na]+

505.34408

225.6

[M+NH4]+

500.38868

221.3

[M+K]+

521.31802

223.4

[M-H]-

481.34758

215.7

[M+Na-2H]-

503.32953

224.5

[M]+

482.35431

219.1

[M]-

482.35541

219.1

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

Apo-4'-lycopenal

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe