CID 12293010

2-bromo-1,1-dimethoxypropane

Structural Information

Molecular Formula
C5H11BrO2
SMILES
CC(C(OC)OC)Br
InChI
InChI=1S/C5H11BrO2/c1-4(6)5(7-2)8-3/h4-5H,1-3H3
InChIKey
HFTQXLCZRCQAAX-UHFFFAOYSA-N
Compound name
2-bromo-1,1-dimethoxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

224
Patents

181.99425 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.00153 131.9
[M+Na]+ 204.98347 142.5
[M-H]- 180.98697 135.2
[M+NH4]+ 200.02807 155.4
[M+K]+ 220.95741 134.3
[M+H-H2O]+ 164.99151 132.7
[M+HCOO]- 226.99245 152.0
[M+CH3COO]- 241.00810 180.6
[M+Na-2H]- 202.96892 138.0
[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