PubChemLite - Hydroxyspirilloxanthin (C41H58O2)

Structural Information

Molecular Formula

SMILES

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)\C=C\CC(C)(C)OC)\C)\C)/C=C/CC(C)(C)O

InChI

InChI=1S/C41H58O2/c1-34(22-14-24-36(3)26-16-28-38(5)30-18-32-40(7,8)42)20-12-13-21-35(2)23-15-25-37(4)27-17-29-39(6)31-19-33-41(9,10)43-11/h12-31,42H,32-33H2,1-11H3/b13-12+,22-14+,23-15+,26-16+,27-17+,30-18+,31-19+,34-20+,35-21+,36-24+,37-25+,38-28+,39-29+

InChIKey

SSZVJOJPPUPCBF-JARCNSDHSA-N

Compound name

(4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaen-2-ol

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]+	583.45094	234.2
[M+Na]+	605.43288	247.2
[M-H]-	581.43638	235.2
[M+NH4]+	600.47748	245.6
[M+K]+	621.40682	250.4
[M+H-H2O]+	565.44092	232.4
[M+HCOO]-	627.44186	238.4
[M+CH3COO]-	641.45751	257.5
[M+Na-2H]-	603.41833	225.9
[M]+	582.44311	234.8
[M]-	582.44421	234.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

583.45094

234.2

[M+Na]+

605.43288

247.2

[M-H]-

581.43638

235.2

[M+NH4]+

600.47748

245.6

[M+K]+

621.40682

250.4

[M+H-H2O]+

565.44092

232.4

[M+HCOO]-

627.44186

238.4

[M+CH3COO]-

641.45751

257.5

[M+Na-2H]-

603.41833

225.9

[M]+

582.44311

234.8

[M]-

582.44421

234.8

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

Hydroxyspirilloxanthin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe