CID 79913

Propyl n,n-diethylsuccinamate

Structural Information

Molecular Formula

C₁₁H₂₁NO₃

SMILES

CCCOC(=O)CCC(=O)N(CC)CC

InChI

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

InChIKey

UZCDZCKZKAMXMC-UHFFFAOYSA-N

Compound name

propyl 4-(diethylamino)-4-oxobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 215.15215 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]+	216.15943	152.1
[M+Na]+	238.14137	159.6
[M+NH4]+	233.18597	157.9
[M+K]+	254.11531	155.4
[M-H]-	214.14487	150.6
[M+Na-2H]-	236.12682	153.5
[M]+	215.15160	152.3
[M]-	215.15270	152.3

Literature stripe

literature stripe

Patent stripe

patents stripe