CID 83802573

Ethyl 5-amino-4-chloroisoxazole-3-carboxylate

Structural Information

Molecular Formula
C6H7ClN2O3
SMILES
CCOC(=O)C1=NOC(=C1Cl)N
InChI
InChI=1S/C6H7ClN2O3/c1-2-11-6(10)4-3(7)5(8)12-9-4/h2,8H2,1H3
InChIKey
LTBDAVFYKGJEJK-UHFFFAOYSA-N
Compound name
ethyl 5-amino-4-chloro-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

190.01453 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.021806 136.1
[M+Na]+ 213.003748 146.3
[M-H]- 189.007254 139.3
[M+NH4]+ 208.048353 155.5
[M+K]+ 228.977688 145.0
[M+H-H2O]+ 173.011790 130.8
[M+HCOO]- 235.012731 155.7
[M+CH3COO]- 249.028381 180.7
[M+Na-2H]- 210.989196 140.6
[M]+ 190.01398142 140.3
[M]- 190.01507858 140.3
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

patents stripe