CID 574464

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

Structural Information

Molecular Formula
C6H8N2O2
SMILES
CCN1C=CC(=N1)C(=O)O
InChI
InChI=1S/C6H8N2O2/c1-2-8-4-3-5(7-8)6(9)10/h3-4H,2H2,1H3,(H,9,10)
InChIKey
YRKRPSDCHZQNDF-UHFFFAOYSA-N
Compound name
1-ethylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

140.05858 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.06586 127.8
[M+Na]+ 163.04780 138.4
[M+NH4]+ 158.09240 134.6
[M+K]+ 179.02174 136.1
[M-H]- 139.05130 126.7
[M+Na-2H]- 161.03325 132.2
[M]+ 140.05803 128.6
[M]- 140.05913 128.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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