CID 83872844

1-ethyl-5-hydroxy-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C6H8N2O3
SMILES
CCN1C(=O)C=C(N1)C(=O)O
InChI
InChI=1S/C6H8N2O3/c1-2-8-5(9)3-4(7-8)6(10)11/h3,7H,2H2,1H3,(H,10,11)
InChIKey
CRUUILCJGJTPML-UHFFFAOYSA-N
Compound name
2-ethyl-3-oxo-1H-pyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

156.0535 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.060776 129.1
[M+Na]+ 179.042718 138.8
[M-H]- 155.046224 128.2
[M+NH4]+ 174.087323 148.0
[M+K]+ 195.016658 136.7
[M+H-H2O]+ 139.050760 123.1
[M+HCOO]- 201.051701 149.7
[M+CH3COO]- 215.067351 170.2
[M+Na-2H]- 177.028166 132.8
[M]+ 156.05295142 128.8
[M]- 156.05404858 128.8
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