Dihydroxylycopene (C40H60O2)

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(\CCCC(O)(C)C)/C)/C)/C)\C)\C)/CCCC(O)(C)C

InChI

InChI=1S/C40H60O2/c1-33(21-13-23-35(3)25-15-27-37(5)29-17-31-39(7,8)41)19-11-12-20-34(2)22-14-24-36(4)26-16-28-38(6)30-18-32-40(9,10)42/h11-16,19-28,41-42H,17-18,29-32H2,1-10H3/b12-11+,21-13+,22-14+,25-15+,26-16+,33-19+,34-20+,35-23+,36-24+,37-27+,38-28+

InChIKey

FOHPEEJTFCJHNI-FIKDCGPASA-N

Compound name

(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,8,10,12,14,16,18,20,22,24,26-undecaene-2,31-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]+	573.466626	230.8
[M+Na]+	595.448568	241.7
[M-H]-	571.452074	230.1
[M+NH4]+	590.493173	239.2
[M+K]+	611.422508	245.6
[M+H-H2O]+	555.456610	227.8
[M+HCOO]-	617.457551	232.1
[M+CH3COO]-	631.473201	255.2
[M+Na-2H]-	593.434016	221.4
[M]+	572.45880142	230.5
[M]-	572.45989858	230.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

573.466626

230.8

[M+Na]+

595.448568

241.7

[M-H]-

571.452074

230.1

[M+NH4]+

590.493173

239.2

[M+K]+

611.422508

245.6

[M+H-H2O]+

555.456610

227.8

[M+HCOO]-

617.457551

232.1

[M+CH3COO]-

631.473201

255.2

[M+Na-2H]-

593.434016

221.4

[M]+

572.45880142

230.5

[M]-

572.45989858

230.5

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

Dihydroxylycopene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe