CID 521093

Methyl 2-(bromomethyl)prop-2-enoate

Structural Information

Molecular Formula
C5H7BrO2
SMILES
COC(=O)C(=C)CBr
InChI
InChI=1S/C5H7BrO2/c1-4(3-6)5(7)8-2/h1,3H2,2H3
InChIKey
CFTUQSLVERGMHL-UHFFFAOYSA-N
Compound name
methyl 2-(bromomethyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1563
Patents

177.96294 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.970216 128.2
[M+Na]+ 200.952158 139.5
[M-H]- 176.955664 131.6
[M+NH4]+ 195.996763 151.8
[M+K]+ 216.926098 130.2
[M+H-H2O]+ 160.960200 129.2
[M+HCOO]- 222.961141 148.8
[M+CH3COO]- 236.976791 178.2
[M+Na-2H]- 198.937606 134.6
[M]+ 177.96239142 147.5
[M]- 177.96348858 147.5
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