CID 468616

Chembl3091887

Structural Information

Molecular Formula
C9H11N3O4
SMILES
CC(C(=O)O)(NNC(=O)C1=CC=NC=C1)O
InChI
InChI=1S/C9H11N3O4/c1-9(16,8(14)15)12-11-7(13)6-2-4-10-5-3-6/h2-5,12,16H,1H3,(H,11,13)(H,14,15)
InChIKey
KSHUWNJHDQANAM-UHFFFAOYSA-N
Compound name
2-hydroxy-2-[2-(pyridine-4-carbonyl)hydrazinyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

225.07495 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08223 146.6
[M+Na]+ 248.06417 151.5
[M-H]- 224.06767 146.2
[M+NH4]+ 243.10877 160.8
[M+K]+ 264.03811 150.2
[M+H-H2O]+ 208.07221 139.8
[M+HCOO]- 270.07315 166.6
[M+CH3COO]- 284.08880 187.1
[M+Na-2H]- 246.04962 153.1
[M]+ 225.07440 144.1
[M]- 225.07550 144.1
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

No patent data available for this compound.