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

122
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 128.0
[M+Na]+ 186.97289 142.0
[M-H]- 162.97639 136.3
[M+NH4]+ 182.01749 146.9
[M+K]+ 202.94683 132.9
[M+H-H2O]+ 146.98093 127.9
[M+HCOO]- 208.98187 149.3
[M+CH3COO]- 222.99752 180.1
[M+Na-2H]- 184.95834 137.4
[M]+ 163.98312 149.9
[M]- 163.98422 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