CID 10845405

5-(bromomethyl)-3-methoxy-1,2-oxazole

Structural Information

Molecular Formula
C5H6BrNO2
SMILES
COC1=NOC(=C1)CBr
InChI
InChI=1S/C5H6BrNO2/c1-8-5-2-4(3-6)9-7-5/h2H,3H2,1H3
InChIKey
IKWBIWKIWRWLFN-UHFFFAOYSA-N
Compound name
5-(bromomethyl)-3-methoxy-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

190.95819 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.96547 129.4
[M+Na]+ 213.94741 142.6
[M-H]- 189.95091 135.5
[M+NH4]+ 208.99201 152.1
[M+K]+ 229.92135 134.6
[M+H-H2O]+ 173.95545 129.7
[M+HCOO]- 235.95639 151.8
[M+CH3COO]- 249.97204 178.0
[M+Na-2H]- 211.93286 138.5
[M]+ 190.95764 151.3
[M]- 190.95874 151.3
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