CID 79040

Ethyl 2-bromopropionate

Structural Information

Molecular Formula
C5H9BrO2
SMILES
CCOC(=O)C(C)Br
InChI
InChI=1S/C5H9BrO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3
InChIKey
ARFLASKVLJTEJD-UHFFFAOYSA-N
Compound name
ethyl 2-bromopropanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

7531
Patents

179.97859 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.98587 130.2
[M+Na]+ 202.96781 141.1
[M-H]- 178.97131 133.5
[M+NH4]+ 198.01241 153.7
[M+K]+ 218.94175 132.4
[M+H-H2O]+ 162.97585 131.1
[M+HCOO]- 224.97679 150.5
[M+CH3COO]- 238.99244 179.1
[M+Na-2H]- 200.95326 136.4
[M]+ 179.97804 150.1
[M]- 179.97914 150.1
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