CID 9837038

3458-69-3

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

5
References

440
Patents

196.0484 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05568 138.8
[M+Na]+ 219.03762 145.6
[M-H]- 195.04112 138.7
[M+NH4]+ 214.08222 154.8
[M+K]+ 235.01156 144.0
[M+H-H2O]+ 179.04566 132.2
[M+HCOO]- 241.04660 159.7
[M+CH3COO]- 255.06225 179.7
[M+Na-2H]- 217.02307 143.8
[M]+ 196.04785 137.7
[M]- 196.04895 137.7
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