CID 64450357

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

Structural Information

Molecular Formula
C10H14N2O2
SMILES
C1CCC(CC1)N2C=CC(=N2)C(=O)O
InChI
InChI=1S/C10H14N2O2/c13-10(14)9-6-7-12(11-9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,13,14)
InChIKey
MTOAXJFDFRWWSF-UHFFFAOYSA-N
Compound name
1-cyclohexylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

194.10553 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11281 143.9
[M+Na]+ 217.09475 153.9
[M+NH4]+ 212.13935 151.1
[M+K]+ 233.06869 150.8
[M-H]- 193.09825 144.9
[M+Na-2H]- 215.08020 148.8
[M]+ 194.10498 145.2
[M]- 194.10608 145.2
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