PubChemLite - 4,4'-diapo-zeta-carotene (C30H44)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C30H44/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h9-10,13-18,21-24H,11-12,19-20H2,1-8H3/b10-9+,21-13+,22-14+,27-17+,28-18+,29-23+,30-24+

InChIKey

JJMKRPXUHIPSAW-ZOKJSSERSA-N

Compound name

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

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]+	405.35158	215.1
[M+Na]+	427.33352	213.8
[M+NH4]+	422.37812	209.3
[M+K]+	443.30746	210.5
[M-H]-	403.33702	201.8
[M+Na-2H]-	425.31897	211.0
[M]+	404.34375	206.9
[M]-	404.34485	206.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

405.35158

215.1

[M+Na]+

427.33352

213.8

[M+NH4]+

422.37812

209.3

[M+K]+

443.30746

210.5

[M-H]-

403.33702

201.8

[M+Na-2H]-

425.31897

211.0

[M]+

404.34375

206.9

[M]-

404.34485

206.9

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

4,4'-diapo-zeta-carotene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe