CID 29049288

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

166.07423 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 137.7
[M+Na]+ 189.06345 148.7
[M-H]- 165.06695 141.9
[M+NH4]+ 184.10805 152.1
[M+K]+ 205.03739 145.0
[M+H-H2O]+ 149.07149 130.7
[M+HCOO]- 211.07243 159.1
[M+CH3COO]- 225.08808 179.5
[M+Na-2H]- 187.04890 140.9
[M]+ 166.07368 140.4
[M]- 166.07478 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

patents stripe