CID 76145227

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

Structural Information

Molecular Formula
C8H10N2O2
SMILES
CC1=C(NN=C1C(=O)O)C2CC2
InChI
InChI=1S/C8H10N2O2/c1-4-6(5-2-3-5)9-10-7(4)8(11)12/h5H,2-3H2,1H3,(H,9,10)(H,11,12)
InChIKey
RHFFKLZKZRMDEU-UHFFFAOYSA-N
Compound name
5-cyclopropyl-4-methyl-1H-pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
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 136.9
[M+Na]+ 189.06345 147.5
[M-H]- 165.06695 139.8
[M+NH4]+ 184.10805 150.6
[M+K]+ 205.03739 142.9
[M+H-H2O]+ 149.07149 130.2
[M+HCOO]- 211.07243 156.9
[M+CH3COO]- 225.08808 177.1
[M+Na-2H]- 187.04890 139.8
[M]+ 166.07368 137.9
[M]- 166.07478 137.9
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