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]+ 211.071336 143.3
[M+Na]+ 233.053278 149.8
[M-H]- 209.056784 143.1
[M+NH4]+ 228.097883 158.8
[M+K]+ 249.027218 147.8
[M+H-H2O]+ 193.061320 136.5
[M+HCOO]- 255.062261 163.9
[M+CH3COO]- 269.077911 182.7
[M+Na-2H]- 231.038726 147.8
[M]+ 210.06351142 142.6
[M]- 210.06460858 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