CID 104150

52304-36-6

Structural Information

Molecular Formula

C₁₁H₂₁NO₃

SMILES

CCCCN(CCC(=O)OCC)C(=O)C

InChI

InChI=1S/C11H21NO3/c1-4-6-8-12(10(3)13)9-7-11(14)15-5-2/h4-9H2,1-3H3

InChIKey

VZRKEAFHFMSHCD-UHFFFAOYSA-N

Compound name

ethyl 3-[acetyl(butyl)amino]propanoate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 49
References: 5268
Patents: 215.15215 Da
Monoisotopic Mass: 1.2
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]+	216.159426	152.9
[M+Na]+	238.141368	157.6
[M-H]-	214.144874	154.0
[M+NH4]+	233.185973	171.9
[M+K]+	254.115308	158.6
[M+H-H2O]+	198.149410	146.8
[M+HCOO]-	260.150351	175.8
[M+CH3COO]-	274.166001	195.1
[M+Na-2H]-	236.126816	154.3
[M]+	215.15160142	158.1
[M]-	215.15269858	158.1

Literature stripe

literature stripe

Patent stripe

patents stripe