PubChemLite - Cis-5,6-dihydro-5,6-dihydroxy-carotene (C40H58O2)

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)(CCC=C(C)C)O)O)/C)/C)/C)C

InChI

InChI=1S/C40H58O2/c1-32(2)18-13-22-36(7)25-15-27-37(8)26-14-23-34(5)20-11-12-21-35(6)24-16-28-38(9)29-30-39(41)40(10,42)31-17-19-33(3)4/h11-12,14-16,18-21,23-30,39,41-42H,13,17,22,31H2,1-10H3/b12-11-,23-14+,24-16+,27-15+,30-29+,34-20+,35-21+,36-25+,37-26+,38-28+

InChIKey

BMVRDJXDSMPZGO-POVXXGCKSA-N

Compound name

(8E,10E,12E,14E,16Z,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,8,10,12,14,16,18,20,22,24,26,30-dodecaene-6,7-diol

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]+	571.45094	233.5
[M+Na]+	593.43288	239.6
[M+NH4]+	588.47748	236.8
[M+K]+	609.40682	237.4
[M-H]-	569.43638	231.0
[M+Na-2H]-	591.41833	238.0
[M]+	570.44311	233.8
[M]-	570.44421	233.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

571.45094

233.5

[M+Na]+

593.43288

239.6

[M+NH4]+

588.47748

236.8

[M+K]+

609.40682

237.4

[M-H]-

569.43638

231.0

[M+Na-2H]-

591.41833

238.0

[M]+

570.44311

233.8

[M]-

570.44421

233.8

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

Cis-5,6-dihydro-5,6-dihydroxy-carotene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe