PubChemLite - Ubiquinol-6 (C39H60O4)

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)/CCC=C(C)C

InChI

InChI=1S/C39H60O4/c1-28(2)16-11-17-29(3)18-12-19-30(4)20-13-21-31(5)22-14-23-32(6)24-15-25-33(7)26-27-35-34(8)36(40)38(42-9)39(43-10)37(35)41/h16,18,20,22,24,26,40-41H,11-15,17,19,21,23,25,27H2,1-10H3/b29-18+,30-20+,31-22+,32-24+,33-26+

InChIKey

DYOSCPIQEYRQEO-LPHQIWJTSA-N

Compound name

2-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-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]+	593.45644	240.0
[M+Na]+	615.43838	249.5
[M-H]-	591.44188	235.5
[M+NH4]+	610.48298	246.7
[M+K]+	631.41232	250.3
[M+H-H2O]+	575.44642	241.6
[M+HCOO]-	637.44736	242.2
[M+CH3COO]-	651.46301	265.3
[M+Na-2H]-	613.42383	228.3
[M]+	592.44861	237.9
[M]-	592.44971	237.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

593.45644

240.0

[M+Na]+

615.43838

249.5

[M-H]-

591.44188

235.5

[M+NH4]+

610.48298

246.7

[M+K]+

631.41232

250.3

[M+H-H2O]+

575.44642

241.6

[M+HCOO]-

637.44736

242.2

[M+CH3COO]-

651.46301

265.3

[M+Na-2H]-

613.42383

228.3

[M]+

592.44861

237.9

[M]-

592.44971

237.9

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

Ubiquinol-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe