CID 447920

Ubiquinols

Structural Information

Molecular Formula
C14H20O4
SMILES
CC1=C(C(=C(C(=C1O)OC)OC)O)CC=C(C)C
InChI
InChI=1S/C14H20O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6,15-16H,7H2,1-5H3
InChIKey
TVLSKGDBUQMDPR-UHFFFAOYSA-N
Compound name
2,3-dimethoxy-5-methyl-6-(3-methylbut-2-enyl)benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

437
References

580
Patents

252.13615 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.14343 156.2
[M+Na]+ 275.12537 165.1
[M-H]- 251.12887 158.1
[M+NH4]+ 270.16997 173.3
[M+K]+ 291.09931 162.6
[M+H-H2O]+ 235.13341 150.9
[M+HCOO]- 297.13435 176.1
[M+CH3COO]- 311.15000 194.9
[M+Na-2H]- 273.11082 156.3
[M]+ 252.13560 160.6
[M]- 252.13670 160.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe