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 127.1
[M+Na]+ 158.03248 139.9
[M+NH4]+ 153.07708 131.1
[M+K]+ 174.00642 131.4
[M-H]- 134.03598 120.2
[M+Na-2H]- 156.01793 131.2
[M]+ 135.04271 126.0
[M]- 135.04381 126.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.