CID 61266704

1-cyclopentyl-5-methyl-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C10H14N2O2
SMILES
CC1=C(C=NN1C2CCCC2)C(=O)O
InChI
InChI=1S/C10H14N2O2/c1-7-9(10(13)14)6-11-12(7)8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,13,14)
InChIKey
XKNSWGRCZIHPHQ-UHFFFAOYSA-N
Compound name
1-cyclopentyl-5-methylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

194.10553 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.112806 143.2
[M+Na]+ 217.094748 150.5
[M-H]- 193.098254 146.2
[M+NH4]+ 212.139353 162.7
[M+K]+ 233.068688 148.6
[M+H-H2O]+ 177.102790 136.1
[M+HCOO]- 239.103731 163.0
[M+CH3COO]- 253.119381 180.1
[M+Na-2H]- 215.080196 143.1
[M]+ 194.10498142 141.0
[M]- 194.10607858 141.0
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