PubChemLite - 5,6-dihydro-5,6-dihydroxy-y,y-carotene (C40H60O2)

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

InChI

InChI=1S/C40H60O2/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/h11-12,14-16,18-21,23-28,39,41-42H,13,17,22,29-31H2,1-10H3/b12-11+,23-14+,24-16+,27-15+,34-20+,35-21+,36-25+,37-26+,38-28+

InChIKey

SAQBOLDBFLXXPW-MRGSADCMSA-N

Compound name

(10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,10,12,14,16,18,20,22,24,26,30-undecaene-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]+	573.46663	232.5
[M+Na]+	595.44857	244.6
[M-H]-	571.45207	232.2
[M+NH4]+	590.49317	242.5
[M+K]+	611.42251	248.2
[M+H-H2O]+	555.45661	232.4
[M+HCOO]-	617.45755	228.2
[M+CH3COO]-	631.47320	256.5
[M+Na-2H]-	593.43402	224.0
[M]+	572.45880	230.9
[M]-	572.45990	230.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

573.46663

232.5

[M+Na]+

595.44857

244.6

[M-H]-

571.45207

232.2

[M+NH4]+

590.49317

242.5

[M+K]+

611.42251

248.2

[M+H-H2O]+

555.45661

232.4

[M+HCOO]-

617.45755

228.2

[M+CH3COO]-

631.47320

256.5

[M+Na-2H]-

593.43402

224.0

[M]+

572.45880

230.9

[M]-

572.45990

230.9

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

5,6-dihydro-5,6-dihydroxy-y,y-carotene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe