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]+ 180.98587 118.0
[M+Na]+ 202.96781 127.4
[M-H]- 178.97131 124.7
[M+NH4]+ 198.01241 134.3
[M+K]+ 218.94175 122.9
[M+H-H2O]+ 162.97585 114.4
[M+HCOO]- 224.97679 138.0
[M+CH3COO]- 238.99244 180.4
[M+Na-2H]- 200.95326 128.3
[M]+ 179.97804 145.5
[M]- 179.97914 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