PubChemLite - 4,4'-diapo-psi,psi-carotenedial (C30H36O2)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C30H36O2/c1-25(15-9-17-27(3)19-11-21-29(5)23-31)13-7-8-14-26(2)16-10-18-28(4)20-12-22-30(6)24-32/h7-24H,1-6H3/b8-7+,15-9+,16-10+,19-11+,20-12+,25-13+,26-14+,27-17+,28-18+,29-21+,30-22+

InChIKey

OBHXTIIHLYSQRY-RAGRHNDSSA-N

Compound name

(2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-2,6,10,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenedial

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]+	429.27883	203.5
[M+Na]+	451.26077	210.3
[M+NH4]+	446.30537	205.7
[M+K]+	467.23471	207.7
[M-H]-	427.26427	201.0
[M+Na-2H]-	449.24622	210.4
[M]+	428.27100	203.8
[M]-	428.27210	203.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

429.27883

203.5

[M+Na]+

451.26077

210.3

[M+NH4]+

446.30537

205.7

[M+K]+

467.23471

207.7

[M-H]-

427.26427

201.0

[M+Na-2H]-

449.24622

210.4

[M]+

428.27100

203.8

[M]-

428.27210

203.8

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

4,4'-diapo-psi,psi-carotenedial

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe