CID 61342453

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

Structural Information

Molecular Formula
C10H14N2O2
SMILES
C1CCC(C1)CN2C=C(C=N2)C(=O)O
InChI
InChI=1S/C10H14N2O2/c13-10(14)9-5-11-12(7-9)6-8-3-1-2-4-8/h5,7-8H,1-4,6H2,(H,13,14)
InChIKey
JDSIPURZKPZBRK-UHFFFAOYSA-N
Compound name
1-(cyclopentylmethyl)pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 143.5
[M+Na]+ 217.09475 149.8
[M-H]- 193.09825 146.1
[M+NH4]+ 212.13935 162.6
[M+K]+ 233.06869 148.0
[M+H-H2O]+ 177.10279 136.0
[M+HCOO]- 239.10373 163.3
[M+CH3COO]- 253.11938 179.0
[M+Na-2H]- 215.08020 144.1
[M]+ 194.10498 140.9
[M]- 194.10608 140.9
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

No patent data available for this compound.