CID 85319

2-acetamidoethyl acetate

Structural Information

Molecular Formula

C₆H₁₁NO₃

SMILES

CC(=O)NCCOC(=O)C

InChI

InChI=1S/C6H11NO3/c1-5(8)7-3-4-10-6(2)9/h3-4H2,1-2H3,(H,7,8)

InChIKey

SKPWGBMKZNVXFF-UHFFFAOYSA-N

Compound name

2-acetamidoethyl acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 219
Patents: 145.0739 Da
Monoisotopic Mass: -0.6
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]+	146.08118	130.7
[M+Na]+	168.06312	138.9
[M+NH4]+	163.10772	137.0
[M+K]+	184.03706	135.4
[M-H]-	144.06662	129.0
[M+Na-2H]-	166.04857	133.0
[M]+	145.07335	130.9
[M]-	145.07445	130.9

Literature stripe

literature stripe

Patent stripe

patents stripe