CID 81672

2-bromo-1,1-dimethoxyethane

Structural Information

Molecular Formula
C4H9BrO2
SMILES
COC(CBr)OC
InChI
InChI=1S/C4H9BrO2/c1-6-4(3-5)7-2/h4H,3H2,1-2H3
InChIKey
FUSFWUFSEJXMRQ-UHFFFAOYSA-N
Compound name
2-bromo-1,1-dimethoxyethane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3237
Patents

167.97859 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.98587 126.6
[M+Na]+ 190.96781 128.2
[M+NH4]+ 186.01241 131.3
[M+K]+ 206.94175 129.4
[M-H]- 166.97131 124.9
[M+Na-2H]- 188.95326 128.1
[M]+ 167.97804 125.0
[M]- 167.97914 125.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe