CID 83802574

1524829-98-8

Structural Information

Molecular Formula
C6H7ClN2O3
SMILES
C(CC(=O)O)C1=NOC(=C1Cl)N
InChI
InChI=1S/C6H7ClN2O3/c7-5-3(1-2-4(10)11)9-12-6(5)8/h1-2,8H2,(H,10,11)
InChIKey
HXPACTZUQDNAEQ-UHFFFAOYSA-N
Compound name
3-(5-amino-4-chloro-1,2-oxazol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.01453 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.021806 136.5
[M+Na]+ 213.003748 146.1
[M-H]- 189.007254 138.2
[M+NH4]+ 208.048353 155.0
[M+K]+ 228.977688 143.9
[M+H-H2O]+ 173.011790 131.3
[M+HCOO]- 235.012731 154.5
[M+CH3COO]- 249.028381 178.9
[M+Na-2H]- 210.989196 140.4
[M]+ 190.01398142 138.9
[M]- 190.01507858 138.9
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.