CID 82372834

4-cyclopropyl-1-methyl-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CN1C(=C(C=N1)C2CC2)C(=O)O
InChI
InChI=1S/C8H10N2O2/c1-10-7(8(11)12)6(4-9-10)5-2-3-5/h4-5H,2-3H2,1H3,(H,11,12)
InChIKey
MDIXYPIHNOMJKO-UHFFFAOYSA-N
Compound name
4-cyclopropyl-2-methylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.07423 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 137.6
[M+Na]+ 189.06345 149.9
[M+NH4]+ 184.10805 145.2
[M+K]+ 205.03739 148.5
[M-H]- 165.06695 144.9
[M+Na-2H]- 187.04890 144.9
[M]+ 166.07368 142.2
[M]- 166.07478 142.2
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.

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No patent data available for this compound.