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	151.3
[M+Na]+	224.16210	155.9
[M-H]-	200.16560	152.2
[M+NH4]+	219.20670	171.0
[M+K]+	240.13604	156.5
[M+H-H2O]+	184.17014	145.2
[M+HCOO]-	246.17108	174.7
[M+CH3COO]-	260.18673	193.8
[M+Na-2H]-	222.14755	153.9
[M]+	201.17233	156.4
[M]-	201.17343	156.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe