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-1-methylpyrazole-5-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]+ 167.081506 137.7
[M+Na]+ 189.063448 148.7
[M-H]- 165.066954 141.9
[M+NH4]+ 184.108053 152.1
[M+K]+ 205.037388 145.0
[M+H-H2O]+ 149.071490 130.7
[M+HCOO]- 211.072431 159.1
[M+CH3COO]- 225.088081 179.5
[M+Na-2H]- 187.048896 140.9
[M]+ 166.07368142 140.4
[M]- 166.07477858 140.4
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

No patent data available for this compound.