CID 3267347

88074-66-2

Structural Information

Molecular Formula

C₁₇H₃₅NO₂

SMILES

CCCCCCCCCCCCNCCC(=O)OCC

InChI

InChI=1S/C17H35NO2/c1-3-5-6-7-8-9-10-11-12-13-15-18-16-14-17(19)20-4-2/h18H,3-16H2,1-2H3

InChIKey

YDLAWDGMGXNINT-UHFFFAOYSA-N

Compound name

ethyl 3-(dodecylamino)propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 285.26678 Da
Monoisotopic Mass: 5.6
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]+	286.27406	178.3
[M+Na]+	308.25600	180.2
[M-H]-	284.25950	176.5
[M+NH4]+	303.30060	193.9
[M+K]+	324.22994	177.8
[M+H-H2O]+	268.26404	171.2
[M+HCOO]-	330.26498	199.2
[M+CH3COO]-	344.28063	208.3
[M+Na-2H]-	306.24145	178.4
[M]+	285.26623	184.4
[M]-	285.26733	184.4

Literature stripe

literature stripe

Patent stripe

patents stripe