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]+ 234.97128 140.5
[M+Na]+ 256.95322 152.9
[M-H]- 232.95672 146.3
[M+NH4]+ 251.99782 160.8
[M+K]+ 272.92716 144.1
[M+H-H2O]+ 216.96126 139.6
[M+HCOO]- 278.96220 162.1
[M+CH3COO]- 292.97785 187.1
[M+Na-2H]- 254.93867 146.4
[M]+ 233.96345 161.2
[M]- 233.96455 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.