CID 20118887

2-(5-amino-2-oxo-1,2-dihydropyridin-1-yl)acetonitrile

Structural Information

Molecular Formula
C7H7N3O
SMILES
C1=CC(=O)N(C=C1N)CC#N
InChI
InChI=1S/C7H7N3O/c8-3-4-10-5-6(9)1-2-7(10)11/h1-2,5H,4,9H2
InChIKey
IDRPFKMHQVWXNQ-UHFFFAOYSA-N
Compound name
2-(5-amino-2-oxopyridin-1-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

149.05891 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.06619 129.5
[M+Na]+ 172.04813 140.4
[M-H]- 148.05163 131.4
[M+NH4]+ 167.09273 147.0
[M+K]+ 188.02207 137.9
[M+H-H2O]+ 132.05617 116.5
[M+HCOO]- 194.05711 150.2
[M+CH3COO]- 208.07276 189.5
[M+Na-2H]- 170.03358 135.9
[M]+ 149.05836 123.7
[M]- 149.05946 123.7
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