CID 43565351

1-(cyclohexylmethyl)-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C11H16N2O2
SMILES
C1CCC(CC1)CN2C=C(C=N2)C(=O)O
InChI
InChI=1S/C11H16N2O2/c14-11(15)10-6-12-13(8-10)7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H,14,15)
InChIKey
BUIWTAWFCROXRE-UHFFFAOYSA-N
Compound name
1-(cyclohexylmethyl)pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.12119 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.12847 148.3
[M+Na]+ 231.11041 158.1
[M+NH4]+ 226.15501 155.4
[M+K]+ 247.08435 154.8
[M-H]- 207.11391 149.3
[M+Na-2H]- 229.09586 153.0
[M]+ 208.12064 149.6
[M]- 208.12174 149.6
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.