CID 22052895

2-(bromomethyl)-3-ethyloxirane

Structural Information

Molecular Formula
C5H9BrO
SMILES
CCC1C(O1)CBr
InChI
InChI=1S/C5H9BrO/c1-2-4-5(3-6)7-4/h4-5H,2-3H2,1H3
InChIKey
LKYCAAULXGRNFC-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-3-ethyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

139
Patents

163.98367 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.990946 128.0
[M+Na]+ 186.972888 142.0
[M-H]- 162.976394 136.3
[M+NH4]+ 182.017493 146.9
[M+K]+ 202.946828 132.9
[M+H-H2O]+ 146.980930 127.9
[M+HCOO]- 208.981871 149.3
[M+CH3COO]- 222.997521 180.1
[M+Na-2H]- 184.958336 137.4
[M]+ 163.98312142 149.9
[M]- 163.98421858 149.9
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