CID 2776164

3,5-dimethyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C6H8N2O2
SMILES
CC1=C(C(=NN1)C)C(=O)O
InChI
InChI=1S/C6H8N2O2/c1-3-5(6(9)10)4(2)8-7-3/h1-2H3,(H,7,8)(H,9,10)
InChIKey
IOOWDXMXZBYKLR-UHFFFAOYSA-N
Compound name
3,5-dimethyl-1H-pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

223
Patents

140.05858 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.06586 128.2
[M+Na]+ 163.04780 138.6
[M+NH4]+ 158.09240 134.6
[M+K]+ 179.02174 136.8
[M-H]- 139.05130 126.6
[M+Na-2H]- 161.03325 131.7
[M]+ 140.05803 128.8
[M]- 140.05913 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

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Patent stripe

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