CID 524551

1-bromo-3-methoxypropane

Structural Information

Molecular Formula
C4H9BrO
SMILES
COCCCBr
InChI
InChI=1S/C4H9BrO/c1-6-4-2-3-5/h2-4H2,1H3
InChIKey
CEVMYGZHEJSOHZ-UHFFFAOYSA-N
Compound name
1-bromo-3-methoxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3798
Patents

151.98367 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.99095 123.2
[M+Na]+ 174.97289 134.8
[M-H]- 150.97639 126.6
[M+NH4]+ 170.01749 148.0
[M+K]+ 190.94683 125.8
[M+H-H2O]+ 134.98093 124.5
[M+HCOO]- 196.98187 145.4
[M+CH3COO]- 210.99752 174.5
[M+Na-2H]- 172.95834 132.5
[M]+ 151.98312 143.5
[M]- 151.98422 143.5
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.