CID 168575

Peg-3 lauramide

Structural Information

Molecular Formula

C₁₆H₃₃NO₃

SMILES

CCCCCCCCCCCC(=O)NCCOCCO

InChI

InChI=1S/C16H33NO3/c1-2-3-4-5-6-7-8-9-10-11-16(19)17-12-14-20-15-13-18/h18H,2-15H2,1H3,(H,17,19)

InChIKey

SIFSGJHNINUHSG-UHFFFAOYSA-N

Compound name

N-[2-(2-hydroxyethoxy)ethyl]dodecanamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 409
Patents: 287.24603 Da
Monoisotopic Mass: 3.9
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]+	288.253306	176.6
[M+Na]+	310.235248	178.3
[M-H]-	286.238754	173.5
[M+NH4]+	305.279853	191.3
[M+K]+	326.209188	175.8
[M+H-H2O]+	270.243290	169.5
[M+HCOO]-	332.244231	196.5
[M+CH3COO]-	346.259881	204.7
[M+Na-2H]-	308.220696	176.8
[M]+	287.24548142	181.8
[M]-	287.24657858	181.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe