CID 19619897

4-bromo-1-cyclopentyl-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C9H11BrN2O2
SMILES
C1CCC(C1)N2C=C(C(=N2)C(=O)O)Br
InChI
InChI=1S/C9H11BrN2O2/c10-7-5-12(6-3-1-2-4-6)11-8(7)9(13)14/h5-6H,1-4H2,(H,13,14)
InChIKey
NVAIETNEKATDHE-UHFFFAOYSA-N
Compound name
4-bromo-1-cyclopentylpyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

258.0004 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.00768 158.2
[M+Na]+ 280.98962 158.3
[M+NH4]+ 276.03422 161.5
[M+K]+ 296.96356 162.6
[M-H]- 256.99312 157.0
[M+Na-2H]- 278.97507 158.4
[M]+ 257.99985 156.3
[M]- 258.00095 156.3
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.