CID 61922990

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

Structural Information

Molecular Formula
C6H8ClN3O2
SMILES
C1=C(C=NN1CC(C(=O)O)N)Cl
InChI
InChI=1S/C6H8ClN3O2/c7-4-1-9-10(2-4)3-5(8)6(11)12/h1-2,5H,3,8H2,(H,11,12)
InChIKey
ZIXXZYJVLRQSMP-UHFFFAOYSA-N
Compound name
2-amino-3-(4-chloropyrazol-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.0305 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.037776 137.0
[M+Na]+ 212.019718 145.5
[M-H]- 188.023224 136.5
[M+NH4]+ 207.064323 155.2
[M+K]+ 227.993658 142.5
[M+H-H2O]+ 172.027760 130.7
[M+HCOO]- 234.028701 153.6
[M+CH3COO]- 248.044351 179.3
[M+Na-2H]- 210.005166 139.6
[M]+ 189.02995142 136.9
[M]- 189.03104858 136.9
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.