CID 3252655

3-cyclohexyl-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C10H14N2O2
SMILES
C1CCC(CC1)C2=CC(=NN2)C(=O)O
InChI
InChI=1S/C10H14N2O2/c13-10(14)9-6-8(11-12-9)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,11,12)(H,13,14)
InChIKey
UZBZBNDRCGYRRL-UHFFFAOYSA-N
Compound name
5-cyclohexyl-1H-pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

194.10553 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11281 143.6
[M+Na]+ 217.09475 148.7
[M-H]- 193.09825 144.3
[M+NH4]+ 212.13935 160.2
[M+K]+ 233.06869 145.6
[M+H-H2O]+ 177.10279 136.0
[M+HCOO]- 239.10373 159.7
[M+CH3COO]- 253.11938 176.4
[M+Na-2H]- 215.08020 145.3
[M]+ 194.10498 137.0
[M]- 194.10608 137.0
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