CID 12140389

3-cyclohexyl-1h-pyrazole-4-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

194.10553 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.112806 143.6
[M+Na]+ 217.094748 148.7
[M-H]- 193.098254 144.3
[M+NH4]+ 212.139353 160.2
[M+K]+ 233.068688 145.6
[M+H-H2O]+ 177.102790 136.0
[M+HCOO]- 239.103731 159.7
[M+CH3COO]- 253.119381 176.4
[M+Na-2H]- 215.080196 145.3
[M]+ 194.10498142 137.0
[M]- 194.10607858 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

literature stripe

Patent stripe

patents stripe