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

4004
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 137.8
[M-H]- 166.97131 130.0
[M+NH4]+ 186.01241 150.7
[M+K]+ 206.94175 129.6
[M+H-H2O]+ 150.97585 127.6
[M+HCOO]- 212.97679 148.0
[M+CH3COO]- 226.99244 177.0
[M+Na-2H]- 188.95326 134.6
[M]+ 167.97804 147.6
[M]- 167.97914 147.6
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