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

11
Patents

163.98367 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.990946 115.9
[M+Na]+ 186.972888 125.5
[M-H]- 162.976394 122.7
[M+NH4]+ 182.017493 133.0
[M+K]+ 202.946828 120.6
[M+H-H2O]+ 146.980930 112.6
[M+HCOO]- 208.981871 135.8
[M+CH3COO]- 222.997521 178.7
[M+Na-2H]- 184.958336 126.2
[M]+ 163.98312142 142.1
[M]- 163.98421858 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