CID 17244521

6-methyl-2-oxo-1,2-dihydropyrimidine-4-carbonitrile

Structural Information

Molecular Formula
C6H5N3O
SMILES
CC1=CC(=NC(=O)N1)C#N
InChI
InChI=1S/C6H5N3O/c1-4-2-5(3-7)9-6(10)8-4/h2H,1H3,(H,8,9,10)
InChIKey
OTKHLNMEHLPOAL-UHFFFAOYSA-N
Compound name
6-methyl-2-oxo-1H-pyrimidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

135.04326 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.05054 123.8
[M+Na]+ 158.03248 135.2
[M-H]- 134.03598 123.5
[M+NH4]+ 153.07708 140.5
[M+K]+ 174.00642 132.6
[M+H-H2O]+ 118.04052 110.6
[M+HCOO]- 180.04146 141.9
[M+CH3COO]- 194.05711 183.1
[M+Na-2H]- 156.01793 131.0
[M]+ 135.04271 117.9
[M]- 135.04381 117.9
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.