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 136.5
[M+Na]+ 213.00375 146.1
[M-H]- 189.00725 138.2
[M+NH4]+ 208.04835 155.0
[M+K]+ 228.97769 143.9
[M+H-H2O]+ 173.01179 131.3
[M+HCOO]- 235.01273 154.5
[M+CH3COO]- 249.02838 178.9
[M+Na-2H]- 210.98920 140.4
[M]+ 190.01398 138.9
[M]- 190.01508 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.