CID 131423594

Ethyl 5-amino-4-bromo-1,2-oxazole-3-carboxylate

Structural Information

Molecular Formula
C6H7BrN2O3
SMILES
CCOC(=O)C1=NOC(=C1Br)N
InChI
InChI=1S/C6H7BrN2O3/c1-2-11-6(10)4-3(7)5(8)12-9-4/h2,8H2,1H3
InChIKey
QKZASPSCKIFIPF-UHFFFAOYSA-N
Compound name
ethyl 5-amino-4-bromo-1,2-oxazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.964 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.971276 140.5
[M+Na]+ 256.953218 152.9
[M-H]- 232.956724 146.3
[M+NH4]+ 251.997823 160.8
[M+K]+ 272.927158 144.1
[M+H-H2O]+ 216.961260 139.6
[M+HCOO]- 278.962201 162.1
[M+CH3COO]- 292.977851 187.1
[M+Na-2H]- 254.938666 146.4
[M]+ 233.96345142 161.2
[M]- 233.96454858 161.2
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.