PubChemLite - Norbixin (C24H28O4)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C24H28O4/c1-19(11-7-13-21(3)15-17-23(25)26)9-5-6-10-20(2)12-8-14-22(4)16-18-24(27)28/h5-18H,1-4H3,(H,25,26)(H,27,28)/b6-5+,11-7+,12-8+,17-15+,18-16+,19-9+,20-10+,21-13+,22-14+

InChIKey

ZVKOASAVGLETCT-UOGKPENDSA-N

Compound name

(2E,4E,6E,8E,10E,12E,14E,16E,18E)-4,8,13,17-tetramethylicosa-2,4,6,8,10,12,14,16,18-nonaenedioic acid

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]+	381.20604	195.9
[M+Na]+	403.18798	197.5
[M-H]-	379.19148	191.0
[M+NH4]+	398.23258	197.3
[M+K]+	419.16192	189.3
[M+H-H2O]+	363.19602	190.3
[M+HCOO]-	425.19696	195.4
[M+CH3COO]-	439.21261	213.9
[M+Na-2H]-	401.17343	186.0
[M]+	380.19821	187.7
[M]-	380.19931	187.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

381.20604

195.9

[M+Na]+

403.18798

197.5

[M-H]-

379.19148

191.0

[M+NH4]+

398.23258

197.3

[M+K]+

419.16192

189.3

[M+H-H2O]+

363.19602

190.3

[M+HCOO]-

425.19696

195.4

[M+CH3COO]-

439.21261

213.9

[M+Na-2H]-

401.17343

186.0

[M]+

380.19821

187.7

[M]-

380.19931

187.7

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

Norbixin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe