CID 112720

2-aminoethyl acetate

Structural Information

Molecular Formula

SMILES

CC(=O)OCCN

InChI

InChI=1S/C4H9NO2/c1-4(6)7-3-2-5/h2-3,5H2,1H3

InChIKey

HBVZRPAKZOLBPL-UHFFFAOYSA-N

Compound name

2-aminoethyl acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 526
Patents: 103.06333 Da
Monoisotopic Mass: -0.8
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]+	104.07061	119.1
[M+Na]+	126.05255	128.3
[M+NH4]+	121.09715	126.6
[M+K]+	142.02649	124.2
[M-H]-	102.05605	118.4
[M+Na-2H]-	124.03800	122.6
[M]+	103.06278	119.8
[M]-	103.06388	119.8

Literature stripe

literature stripe

Patent stripe

patents stripe