CID 79040

Ethyl 2-bromopropionate

Structural Information

Molecular Formula

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

3
Annotation Hits: 6
References: 6846
Patents: 179.97859 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	180.98587	128.9
[M+Na]+	202.96781	130.0
[M+NH4]+	198.01241	133.1
[M+K]+	218.94175	131.7
[M-H]-	178.97131	126.7
[M+Na-2H]-	200.95326	129.7
[M]+	179.97804	127.0
[M]-	179.97914	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe