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

13
Patents

156.0535 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.06078 129.1
[M+Na]+ 179.04272 138.8
[M-H]- 155.04622 128.2
[M+NH4]+ 174.08732 148.0
[M+K]+ 195.01666 136.7
[M+H-H2O]+ 139.05076 123.1
[M+HCOO]- 201.05170 149.7
[M+CH3COO]- 215.06735 170.2
[M+Na-2H]- 177.02817 132.8
[M]+ 156.05295 128.8
[M]- 156.05405 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