CID 22014760

1-cyclohexyl-3,5-dimethyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C12H18N2O2
SMILES
CC1=C(C(=NN1C2CCCCC2)C)C(=O)O
InChI
InChI=1S/C12H18N2O2/c1-8-11(12(15)16)9(2)14(13-8)10-6-4-3-5-7-10/h10H,3-7H2,1-2H3,(H,15,16)
InChIKey
WPBODDJXYWBGRV-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3,5-dimethylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

222.13683 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.14411 152.2
[M+Na]+ 245.12605 162.6
[M+NH4]+ 240.17065 159.1
[M+K]+ 261.09999 159.4
[M-H]- 221.12955 153.3
[M+Na-2H]- 243.11150 156.2
[M]+ 222.13628 153.7
[M]- 222.13738 153.7
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