CID 1116164

Benzyl 3-aminopropanoate hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

C1=CC=C(C=C1)COC(=O)CCN

InChI

InChI=1S/C10H13NO2/c11-7-6-10(12)13-8-9-4-2-1-3-5-9/h1-5H,6-8,11H2

InChIKey

CANCPUBPPUIWPX-UHFFFAOYSA-N

Compound name

benzyl 3-aminopropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 609
Patents: 179.09464 Da
Monoisotopic Mass: 1.0
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]+	180.10192	139.2
[M+Na]+	202.08386	150.2
[M+NH4]+	197.12846	147.0
[M+K]+	218.05780	144.2
[M-H]-	178.08736	141.1
[M+Na-2H]-	200.06931	145.5
[M]+	179.09409	141.0
[M]-	179.09519	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe