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

5
Patents

142.03784 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.04512 126.5
[M+Na]+ 165.02706 134.7
[M-H]- 141.03056 125.0
[M+NH4]+ 160.07166 145.6
[M+K]+ 181.00100 133.1
[M+H-H2O]+ 125.03510 120.4
[M+HCOO]- 187.03604 146.1
[M+CH3COO]- 201.05169 166.2
[M+Na-2H]- 163.01251 130.5
[M]+ 142.03729 124.1
[M]- 142.03839 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