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]+ 191.02181 135.8
[M+Na]+ 213.00375 146.1
[M+NH4]+ 208.04835 142.2
[M+K]+ 228.97769 144.4
[M-H]- 189.00725 136.3
[M+Na-2H]- 210.98920 138.8
[M]+ 190.01398 137.3
[M]- 190.01508 137.3
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.