CID 2971

Decylubiquinone

Structural Information

Molecular Formula
C19H30O4
SMILES
CCCCCCCCCCC1=C(C(=O)C(=C(C1=O)OC)OC)C
InChI
InChI=1S/C19H30O4/c1-5-6-7-8-9-10-11-12-13-15-14(2)16(20)18(22-3)19(23-4)17(15)21/h5-13H2,1-4H3
InChIKey
VMEGFMNVSYVVOM-UHFFFAOYSA-N
Compound name
2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

63
References

859
Patents

322.21442 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.22170 177.3
[M+Na]+ 345.20364 184.3
[M-H]- 321.20714 180.5
[M+NH4]+ 340.24824 192.7
[M+K]+ 361.17758 181.4
[M+H-H2O]+ 305.21168 170.5
[M+HCOO]- 367.21262 198.2
[M+CH3COO]- 381.22827 214.2
[M+Na-2H]- 343.18909 176.1
[M]+ 322.21387 185.8
[M]- 322.21497 185.8
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