CID 310620

2-(bromomethyl)acrylic acid ethyl ester

Structural Information

Molecular Formula
C6H9BrO2
SMILES
CCOC(=O)C(=C)CBr
InChI
InChI=1S/C6H9BrO2/c1-3-9-6(8)5(2)4-7/h2-4H2,1H3
InChIKey
MTCMFVTVXAOHNQ-UHFFFAOYSA-N
Compound name
ethyl 2-(bromomethyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1715
Patents

191.97859 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.98587 132.9
[M+Na]+ 214.96781 143.8
[M-H]- 190.97131 136.1
[M+NH4]+ 210.01241 156.0
[M+K]+ 230.94175 134.3
[M+H-H2O]+ 174.97585 133.8
[M+HCOO]- 236.97679 153.2
[M+CH3COO]- 250.99244 181.0
[M+Na-2H]- 212.95326 138.7
[M]+ 191.97804 152.6
[M]- 191.97914 152.6
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