CID 43145812

5-cyclopropyl-1-(2-methylpropyl)-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C11H16N2O2
SMILES
CC(C)CN1C(=C(C=N1)C(=O)O)C2CC2
InChI
InChI=1S/C11H16N2O2/c1-7(2)6-13-10(8-3-4-8)9(5-12-13)11(14)15/h5,7-8H,3-4,6H2,1-2H3,(H,14,15)
InChIKey
VFNMMVCYCODIGI-UHFFFAOYSA-N
Compound name
5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

208.12119 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.12847 149.0
[M+Na]+ 231.11041 160.4
[M+NH4]+ 226.15501 156.0
[M+K]+ 247.08435 159.2
[M-H]- 207.11391 156.0
[M+Na-2H]- 229.09586 155.3
[M]+ 208.12064 153.4
[M]- 208.12174 153.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.