CID 43805624

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

Structural Information

Molecular Formula
C11H16N2O2
SMILES
CN1C=C(C(=N1)C2CCCCC2)C(=O)O
InChI
InChI=1S/C11H16N2O2/c1-13-7-9(11(14)15)10(12-13)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3,(H,14,15)
InChIKey
LSVWZGCNANSDGR-UHFFFAOYSA-N
Compound name
3-cyclohexyl-1-methylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.12119 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.12847 148.0
[M+Na]+ 231.11041 158.2
[M+NH4]+ 226.15501 155.1
[M+K]+ 247.08435 155.1
[M-H]- 207.11391 149.1
[M+Na-2H]- 229.09586 152.5
[M]+ 208.12064 149.4
[M]- 208.12174 149.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.