CID 21411173

3-(2-bromoethyl)oxetane

Structural Information

Molecular Formula
C5H9BrO
SMILES
C1C(CO1)CCBr
InChI
InChI=1S/C5H9BrO/c6-2-1-5-3-7-4-5/h5H,1-4H2
InChIKey
GUQPQUZYJQVGNZ-UHFFFAOYSA-N
Compound name
3-(2-bromoethyl)oxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

163.98367 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.99095 115.9
[M+Na]+ 186.97289 125.5
[M-H]- 162.97639 122.7
[M+NH4]+ 182.01749 133.0
[M+K]+ 202.94683 120.6
[M+H-H2O]+ 146.98093 112.6
[M+HCOO]- 208.98187 135.8
[M+CH3COO]- 222.99752 178.7
[M+Na-2H]- 184.95834 126.2
[M]+ 163.98312 142.1
[M]- 163.98422 142.1
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