CID 37818714

1092351-96-6

Structural Information

Molecular Formula
C5H4BrNO3
SMILES
COC(=O)C1=CN=C(O1)Br
InChI
InChI=1S/C5H4BrNO3/c1-9-4(8)3-2-7-5(6)10-3/h2H,1H3
InChIKey
VZASWAMBNWCQJL-UHFFFAOYSA-N
Compound name
methyl 2-bromo-1,3-oxazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

204.93745 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.94473 131.3
[M+Na]+ 227.92667 144.5
[M-H]- 203.93017 137.6
[M+NH4]+ 222.97127 153.3
[M+K]+ 243.90061 136.8
[M+H-H2O]+ 187.93471 131.6
[M+HCOO]- 249.93565 153.2
[M+CH3COO]- 263.95130 179.2
[M+Na-2H]- 225.91212 139.3
[M]+ 204.93690 153.2
[M]- 204.93800 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