CID 98749

42980-55-2

Structural Information

Molecular Formula

C₁₁H₂₃NO₂

SMILES

CCCN(CCC)CCC(=O)OCC

InChI

InChI=1S/C11H23NO2/c1-4-8-12(9-5-2)10-7-11(13)14-6-3/h4-10H2,1-3H3

InChIKey

SOLYWAUOPAAMCR-UHFFFAOYSA-N

Compound name

ethyl 3-(dipropylamino)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 201.17288 Da
Monoisotopic Mass: 2.2
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]+	202.18016	149.8
[M+Na]+	224.16210	158.1
[M+NH4]+	219.20670	156.6
[M+K]+	240.13604	152.6
[M-H]-	200.16560	149.3
[M+Na-2H]-	222.14755	152.2
[M]+	201.17233	150.5
[M]-	201.17343	150.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.