CID 51491571

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

194.10553 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11281 143.0
[M+Na]+ 217.09475 148.5
[M-H]- 193.09825 145.1
[M+NH4]+ 212.13935 160.3
[M+K]+ 233.06869 146.3
[M+H-H2O]+ 177.10279 135.1
[M+HCOO]- 239.10373 160.6
[M+CH3COO]- 253.11938 178.9
[M+Na-2H]- 215.08020 145.1
[M]+ 194.10498 138.2
[M]- 194.10608 138.2
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