CID 135854966

103980-61-6

Structural Information

Molecular Formula
C17H30N2O
SMILES
CCCCCCCCCCCCC1=C(N=CNC1=O)C
InChI
InChI=1S/C17H30N2O/c1-3-4-5-6-7-8-9-10-11-12-13-16-15(2)18-14-19-17(16)20/h14H,3-13H2,1-2H3,(H,18,19,20)
InChIKey
KMKURCSWXPDGSU-UHFFFAOYSA-N
Compound name
5-dodecyl-4-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.2358 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.24308 171.6
[M+Na]+ 301.22502 177.3
[M-H]- 277.22852 170.0
[M+NH4]+ 296.26962 184.8
[M+K]+ 317.19896 172.1
[M+H-H2O]+ 261.23306 163.1
[M+HCOO]- 323.23400 189.7
[M+CH3COO]- 337.24965 201.6
[M+Na-2H]- 299.21047 173.6
[M]+ 278.23525 175.1
[M]- 278.23635 175.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.