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]+ 183.001526 132.5
[M+Na]+ 204.983468 142.8
[M-H]- 180.986974 134.3
[M+NH4]+ 200.028073 155.3
[M+K]+ 220.957408 133.3
[M+H-H2O]+ 164.991510 133.3
[M+HCOO]- 226.992451 152.1
[M+CH3COO]- 241.008101 177.3
[M+Na-2H]- 202.968916 139.2
[M]+ 181.99370142 151.9
[M]- 181.99479858 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.