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

53
Patents

190.95819 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.965466 129.4
[M+Na]+ 213.947408 142.6
[M-H]- 189.950914 135.5
[M+NH4]+ 208.992013 152.1
[M+K]+ 229.921348 134.6
[M+H-H2O]+ 173.955450 129.7
[M+HCOO]- 235.956391 151.8
[M+CH3COO]- 249.972041 178.0
[M+Na-2H]- 211.932856 138.5
[M]+ 190.95764142 151.3
[M]- 190.95873858 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