CID 53562

N-(2-hydroxynicotinoyl)glycine

Structural Information

Molecular Formula
C8H8N2O4
SMILES
C1=CNC(=O)C(=C1)C(=O)NCC(=O)O
InChI
InChI=1S/C8H8N2O4/c11-6(12)4-10-8(14)5-2-1-3-9-7(5)13/h1-3H,4H2,(H,9,13)(H,10,14)(H,11,12)
InChIKey
GRIBBPWZJUZGBB-UHFFFAOYSA-N
Compound name
2-[(2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

196.0484 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05568 138.0
[M+Na]+ 219.03762 145.1
[M-H]- 195.04112 137.9
[M+NH4]+ 214.08222 154.0
[M+K]+ 235.01156 142.8
[M+H-H2O]+ 179.04566 131.4
[M+HCOO]- 241.04660 159.1
[M+CH3COO]- 255.06225 178.9
[M+Na-2H]- 217.02307 142.9
[M]+ 196.04785 136.2
[M]- 196.04895 136.2
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