CID 43133808

2-(5-oxo-4,5-dihydro-1h-pyrazol-3-yl)acetic acid

Structural Information

Molecular Formula
C5H6N2O3
SMILES
C1C(=NNC1=O)CC(=O)O
InChI
InChI=1S/C5H6N2O3/c8-4-1-3(6-7-4)2-5(9)10/h1-2H2,(H,7,8)(H,9,10)
InChIKey
HGCLFOPYDIALKO-UHFFFAOYSA-N
Compound name
2-(5-oxo-1,4-dihydropyrazol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

142.03784 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.045116 126.5
[M+Na]+ 165.027058 134.7
[M-H]- 141.030564 125.0
[M+NH4]+ 160.071663 145.6
[M+K]+ 181.000998 133.1
[M+H-H2O]+ 125.035100 120.4
[M+HCOO]- 187.036041 146.1
[M+CH3COO]- 201.051691 166.2
[M+Na-2H]- 163.012506 130.5
[M]+ 142.03729142 124.1
[M]- 142.03838858 124.1
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