CID 118955431

5-amino-6-oxo-1,6-dihydropyridine-2-carbonitrile

Structural Information

Molecular Formula
C6H5N3O
SMILES
C1=C(NC(=O)C(=C1)N)C#N
InChI
InChI=1S/C6H5N3O/c7-3-4-1-2-5(8)6(10)9-4/h1-2H,8H2,(H,9,10)
InChIKey
MSQPSKIEXILZBQ-UHFFFAOYSA-N
Compound name
5-amino-6-oxo-1H-pyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

135.04326 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.05054 127.2
[M+Na]+ 158.03248 138.1
[M-H]- 134.03598 128.0
[M+NH4]+ 153.07708 144.6
[M+K]+ 174.00642 135.1
[M+H-H2O]+ 118.04052 114.7
[M+HCOO]- 180.04146 146.9
[M+CH3COO]- 194.05711 184.5
[M+Na-2H]- 156.01793 133.5
[M]+ 135.04271 119.4
[M]- 135.04381 119.4
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

patents stripe