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]+ 190.03778 137.0
[M+Na]+ 212.01972 145.5
[M-H]- 188.02322 136.5
[M+NH4]+ 207.06432 155.2
[M+K]+ 227.99366 142.5
[M+H-H2O]+ 172.02776 130.7
[M+HCOO]- 234.02870 153.6
[M+CH3COO]- 248.04435 179.3
[M+Na-2H]- 210.00517 139.6
[M]+ 189.02995 136.9
[M]- 189.03105 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.