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

105
Patents

163.98367 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.99095 118.3
[M+Na]+ 186.97289 122.9
[M+NH4]+ 182.01749 124.5
[M+K]+ 202.94683 124.9
[M-H]- 162.97639 125.5
[M+Na-2H]- 184.95834 123.9
[M]+ 163.98312 120.9
[M]- 163.98422 120.9
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