CID 7018451

3-(4-chloro-1h-pyrazol-1-yl)propanoic acid

Structural Information

Molecular Formula
C6H7ClN2O2
SMILES
C1=C(C=NN1CCC(=O)O)Cl
InChI
InChI=1S/C6H7ClN2O2/c7-5-3-8-9(4-5)2-1-6(10)11/h3-4H,1-2H2,(H,10,11)
InChIKey
JFKQKQVXRVGXGC-UHFFFAOYSA-N
Compound name
3-(4-chloropyrazol-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

174.0196 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.026876 132.3
[M+Na]+ 197.008818 142.0
[M-H]- 173.012324 132.1
[M+NH4]+ 192.053423 151.8
[M+K]+ 212.982758 138.9
[M+H-H2O]+ 157.016860 126.2
[M+HCOO]- 219.017801 149.3
[M+CH3COO]- 233.033451 174.1
[M+Na-2H]- 194.994266 136.7
[M]+ 174.01905142 134.5
[M]- 174.02014858 134.5
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