CID 18469040

2-(3-amino-2-oxo-1,2-dihydropyridin-1-yl)acetic acid hydrochloride

Structural Information

Molecular Formula
C7H8N2O3
SMILES
C1=CN(C(=O)C(=C1)N)CC(=O)O
InChI
InChI=1S/C7H8N2O3/c8-5-2-1-3-9(7(5)12)4-6(10)11/h1-3H,4,8H2,(H,10,11)
InChIKey
DZNWPRKEUQEDSZ-UHFFFAOYSA-N
Compound name
2-(3-amino-2-oxopyridin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

168.0535 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.06078 132.3
[M+Na]+ 191.04272 143.3
[M+NH4]+ 186.08732 138.5
[M+K]+ 207.01666 139.5
[M-H]- 167.04622 132.2
[M+Na-2H]- 189.02817 137.2
[M]+ 168.05295 133.4
[M]- 168.05405 133.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe