CID 118932

3-bromo-1,1-dimethoxypropane

Structural Information

Molecular Formula
C5H11BrO2
SMILES
COC(CCBr)OC
InChI
InChI=1S/C5H11BrO2/c1-7-5(8-2)3-4-6/h5H,3-4H2,1-2H3
InChIKey
ODZZAIFAQLODKN-UHFFFAOYSA-N
Compound name
3-bromo-1,1-dimethoxypropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

748
Patents

181.99425 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.00153 131.3
[M+Na]+ 204.98347 142.1
[M-H]- 180.98697 134.5
[M+NH4]+ 200.02807 154.9
[M+K]+ 220.95741 133.6
[M+H-H2O]+ 164.99151 132.1
[M+HCOO]- 226.99245 152.4
[M+CH3COO]- 241.00810 179.8
[M+Na-2H]- 202.96892 138.7
[M]+ 181.99370 152.6
[M]- 181.99480 152.6
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