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

0
Patents

190.01453 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.02181 136.1
[M+Na]+ 213.00375 146.3
[M-H]- 189.00725 139.3
[M+NH4]+ 208.04835 155.5
[M+K]+ 228.97769 145.0
[M+H-H2O]+ 173.01179 130.8
[M+HCOO]- 235.01273 155.7
[M+CH3COO]- 249.02838 180.7
[M+Na-2H]- 210.98920 140.6
[M]+ 190.01398 140.3
[M]- 190.01508 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

No patent data available for this compound.