CID 82404

Ethyl 4-(dipropylamino)-4-oxobutanoate

Structural Information

Molecular Formula

C₁₂H₂₃NO₃

SMILES

CCCN(CCC)C(=O)CCC(=O)OCC

InChI

InChI=1S/C12H23NO3/c1-4-9-13(10-5-2)11(14)7-8-12(15)16-6-3/h4-10H2,1-3H3

InChIKey

RKOVACICPIRRED-UHFFFAOYSA-N

Compound name

ethyl 4-(dipropylamino)-4-oxobutanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.1678 Da
Monoisotopic Mass: 1.6
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]+	230.17508	157.6
[M+Na]+	252.15702	161.9
[M-H]-	228.16052	158.5
[M+NH4]+	247.20162	176.1
[M+K]+	268.13096	162.6
[M+H-H2O]+	212.16506	151.3
[M+HCOO]-	274.16600	180.1
[M+CH3COO]-	288.18165	198.1
[M+Na-2H]-	250.14247	158.5
[M]+	229.16725	163.1
[M]-	229.16835	163.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.