PubChemLite - Ubiquinol-7 (C44H68O4)

Structural Information

Molecular Formula

SMILES

CC1=C(C(=C(C(=C1O)OC)OC)O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C

InChI

InChI=1S/C44H68O4/c1-32(2)18-12-19-33(3)20-13-21-34(4)22-14-23-35(5)24-15-25-36(6)26-16-27-37(7)28-17-29-38(8)30-31-40-39(9)41(45)43(47-10)44(48-11)42(40)46/h18,20,22,24,26,28,30,45-46H,12-17,19,21,23,25,27,29,31H2,1-11H3/b33-20+,34-22+,35-24+,36-26+,37-28+,38-30+

InChIKey

PFIUSPPKANBDHQ-RJYQSXAYSA-N

Compound name

2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-5,6-dimethoxy-3-methylbenzene-1,4-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]+	661.51908	271.8
[M+Na]+	683.50102	272.8
[M+NH4]+	678.54562	272.0
[M+K]+	699.47496	272.0
[M-H]-	659.50452	264.2
[M+Na-2H]-	681.48647	271.2
[M]+	660.51125	269.7
[M]-	660.51235	269.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

661.51908

271.8

[M+Na]+

683.50102

272.8

[M+NH4]+

678.54562

272.0

[M+K]+

699.47496

272.0

[M-H]-

659.50452

264.2

[M+Na-2H]-

681.48647

271.2

[M]+

660.51125

269.7

[M]-

660.51235

269.7

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

Ubiquinol-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe