CID 131585470

3-(2-bromoethoxy)oxetane

Structural Information

Molecular Formula
C5H9BrO2
SMILES
C1C(CO1)OCCBr
InChI
InChI=1S/C5H9BrO2/c6-1-2-8-5-3-7-4-5/h5H,1-4H2
InChIKey
ZEFQQMJSBJJGPJ-UHFFFAOYSA-N
Compound name
3-(2-bromoethoxy)oxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

179.97859 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.985866 118.0
[M+Na]+ 202.967808 127.4
[M-H]- 178.971314 124.7
[M+NH4]+ 198.012413 134.3
[M+K]+ 218.941748 122.9
[M+H-H2O]+ 162.975850 114.4
[M+HCOO]- 224.976791 138.0
[M+CH3COO]- 238.992441 180.4
[M+Na-2H]- 200.953256 128.3
[M]+ 179.97804142 145.5
[M]- 179.97913858 145.5
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