CID 437645

Benzyl 2-aminopropanoate

Structural Information

Molecular Formula

C₁₀H₁₃NO₂

SMILES

CC(C(=O)OCC1=CC=CC=C1)N

InChI

InChI=1S/C10H13NO2/c1-8(11)10(12)13-7-9-5-3-2-4-6-9/h2-6,8H,7,11H2,1H3

InChIKey

YGYLYUIRSJSFJS-UHFFFAOYSA-N

Compound name

benzyl 2-aminopropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2014
Patents: 179.09464 Da
Monoisotopic Mass: 1.1
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	139.3
[M+Na]+	202.08386	150.0
[M+NH4]+	197.12846	147.1
[M+K]+	218.05780	144.8
[M-H]-	178.08736	141.1
[M+Na-2H]-	200.06931	145.3
[M]+	179.09409	141.1
[M]-	179.09519	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe