CID 5280346

Coenzyme q2

Structural Information

Molecular Formula
C19H26O4
SMILES
CC1=C(C(=O)C(=C(C1=O)OC)OC)C/C=C(\C)/CCC=C(C)C
InChI
InChI=1S/C19H26O4/c1-12(2)8-7-9-13(3)10-11-15-14(4)16(20)18(22-5)19(23-6)17(15)21/h8,10H,7,9,11H2,1-6H3/b13-10+
InChIKey
SQQWBSBBCSFQGC-JLHYYAGUSA-N
Compound name
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

737
References

1058
Patents

318.1831 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.190376 173.2
[M+Na]+ 341.172318 180.6
[M-H]- 317.175824 176.8
[M+NH4]+ 336.216923 188.7
[M+K]+ 357.146258 177.5
[M+H-H2O]+ 301.180360 167.1
[M+HCOO]- 363.181301 192.7
[M+CH3COO]- 377.196951 213.0
[M+Na-2H]- 339.157766 169.9
[M]+ 318.18255142 179.0
[M]- 318.18364858 179.0
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