CID 15338190

1281690-83-2

Structural Information

Molecular Formula
C9H10N2O4
SMILES
C1=CC(=C(N=C1)C(=O)NCCC(=O)O)O
InChI
InChI=1S/C9H10N2O4/c12-6-2-1-4-10-8(6)9(15)11-5-3-7(13)14/h1-2,4,12H,3,5H2,(H,11,15)(H,13,14)
InChIKey
PFHCIEHBSHVNNL-UHFFFAOYSA-N
Compound name
3-[(3-hydroxypyridine-2-carbonyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

210.06406 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.07134 143.3
[M+Na]+ 233.05328 149.8
[M-H]- 209.05678 143.1
[M+NH4]+ 228.09788 158.8
[M+K]+ 249.02722 147.8
[M+H-H2O]+ 193.06132 136.5
[M+HCOO]- 255.06226 163.9
[M+CH3COO]- 269.07791 182.7
[M+Na-2H]- 231.03873 147.8
[M]+ 210.06351 142.6
[M]- 210.06461 142.6
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