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

37
Patents

135.04326 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.050536 127.2
[M+Na]+ 158.032478 138.1
[M-H]- 134.035984 128.0
[M+NH4]+ 153.077083 144.6
[M+K]+ 174.006418 135.1
[M+H-H2O]+ 118.040520 114.7
[M+HCOO]- 180.041461 146.9
[M+CH3COO]- 194.057111 184.5
[M+Na-2H]- 156.017926 133.5
[M]+ 135.04271142 119.4
[M]- 135.04380858 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