CID 117190136

5-bromo-2-methoxy-1,3-oxazole

Structural Information

Molecular Formula
C4H4BrNO2
SMILES
COC1=NC=C(O1)Br
InChI
InChI=1S/C4H4BrNO2/c1-7-4-6-2-3(5)8-4/h2H,1H3
InChIKey
YGAMQABWCCSSTK-UHFFFAOYSA-N
Compound name
5-bromo-2-methoxy-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.94254 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.949816 124.6
[M+Na]+ 199.931758 138.3
[M-H]- 175.935264 130.9
[M+NH4]+ 194.976363 147.8
[M+K]+ 215.905698 130.6
[M+H-H2O]+ 159.939800 125.2
[M+HCOO]- 221.940741 147.4
[M+CH3COO]- 235.956391 175.2
[M+Na-2H]- 197.917206 134.3
[M]+ 176.94199142 146.2
[M]- 176.94308858 146.2
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.