PubChemLite - 15,15'-dihydroxy-beta-carotene (C40H58O2)

Structural Information

Molecular Formula

SMILES

CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(O)C(O)/C=C(/C=C/C=C(/C=C/C2=C(CCCC2(C)C)C)\C)\C)/C)/C

InChI

InChI=1S/C40H58O2/c1-29(21-23-35-33(5)19-13-25-39(35,7)8)15-11-17-31(3)27-37(41)38(42)28-32(4)18-12-16-30(2)22-24-36-34(6)20-14-26-40(36,9)10/h11-12,15-18,21-24,27-28,37-38,41-42H,13-14,19-20,25-26H2,1-10H3/b17-11+,18-12+,23-21+,24-22+,29-15+,30-16+,31-27+,32-28+

InChIKey

LAMXZCLZRAUDED-WDJSDFAOSA-N

Compound name

(1E,3E,5E,7E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-1,18-bis(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,11,13,15,17-octaene-9,10-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	250.1
[M+Na]+	593.43288	254.8
[M+NH4]+	588.47748	254.1
[M+K]+	609.40682	243.8
[M-H]-	569.43638	249.1
[M+Na-2H]-	591.41833	249.5
[M]+	570.44311	250.1
[M]-	570.44421	250.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

571.45094

250.1

[M+Na]+

593.43288

254.8

[M+NH4]+

588.47748

254.1

[M+K]+

609.40682

243.8

[M-H]-

569.43638

249.1

[M+Na-2H]-

591.41833

249.5

[M]+

570.44311

250.1

[M]-

570.44421

250.1

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

15,15'-dihydroxy-beta-carotene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe