CID 86346471

1936295-52-1

Structural Information

Molecular Formula
C5H4BrNO3
SMILES
COC(=O)C1=NC(=CO1)Br
InChI
InChI=1S/C5H4BrNO3/c1-9-5(8)4-7-3(6)2-10-4/h2H,1H3
InChIKey
ZUNSDWRDJZZIOG-UHFFFAOYSA-N
Compound name
methyl 4-bromo-1,3-oxazole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

204.93745 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.944726 131.3
[M+Na]+ 227.926668 144.5
[M-H]- 203.930174 137.6
[M+NH4]+ 222.971273 153.3
[M+K]+ 243.900608 136.8
[M+H-H2O]+ 187.934710 131.6
[M+HCOO]- 249.935651 153.2
[M+CH3COO]- 263.951301 179.2
[M+Na-2H]- 225.912116 139.3
[M]+ 204.93690142 153.2
[M]- 204.93799858 153.2
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

patents stripe