CID 67175

1-bromo-2,2-dimethoxypropane

Structural Information

Molecular Formula
C5H11BrO2
SMILES
CC(CBr)(OC)OC
InChI
InChI=1S/C5H11BrO2/c1-5(4-6,7-2)8-3/h4H2,1-3H3
InChIKey
SGTITUFGCGGICE-UHFFFAOYSA-N
Compound name
1-bromo-2,2-dimethoxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

525
Patents

181.99425 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.00153 131.9
[M+Na]+ 204.98347 133.4
[M+NH4]+ 200.02807 136.4
[M+K]+ 220.95741 134.6
[M-H]- 180.98697 129.8
[M+Na-2H]- 202.96892 133.3
[M]+ 181.99370 130.3
[M]- 181.99480 130.3
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