CID 524021

1-bromo-2-methoxypropane

Structural Information

Molecular Formula
C4H9BrO
SMILES
CC(CBr)OC
InChI
InChI=1S/C4H9BrO/c1-4(3-5)6-2/h4H,3H2,1-2H3
InChIKey
ULHBRIULGNSYDP-UHFFFAOYSA-N
Compound name
1-bromo-2-methoxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

151.98367 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.99095 124.0
[M+Na]+ 174.97289 135.3
[M-H]- 150.97639 127.4
[M+NH4]+ 170.01749 148.7
[M+K]+ 190.94683 126.7
[M+H-H2O]+ 134.98093 125.2
[M+HCOO]- 196.98187 145.2
[M+CH3COO]- 210.99752 175.2
[M+Na-2H]- 172.95834 132.0
[M]+ 151.98312 143.6
[M]- 151.98422 143.6
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

patents stripe