CID 137955361

3-bromo-2-ethoxypropan-1-ol

Structural Information

Molecular Formula
C5H11BrO2
SMILES
CCOC(CO)CBr
InChI
InChI=1S/C5H11BrO2/c1-2-8-5(3-6)4-7/h5,7H,2-4H2,1H3
InChIKey
UKWBHJGWMZYZDL-UHFFFAOYSA-N
Compound name
3-bromo-2-ethoxypropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.99425 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.00153 132.5
[M+Na]+ 204.98347 142.8
[M-H]- 180.98697 134.3
[M+NH4]+ 200.02807 155.3
[M+K]+ 220.95741 133.3
[M+H-H2O]+ 164.99151 133.3
[M+HCOO]- 226.99245 152.1
[M+CH3COO]- 241.00810 177.3
[M+Na-2H]- 202.96892 139.2
[M]+ 181.99370 151.9
[M]- 181.99480 151.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.