CID 58369

Tr 483

Structural Information

Molecular Formula

C₁₆H₃₄N₂O

SMILES

CCCCCCCCCC(=O)NCCN(CC)CC

InChI

InChI=1S/C16H34N2O/c1-4-7-8-9-10-11-12-13-16(19)17-14-15-18(5-2)6-3/h4-15H2,1-3H3,(H,17,19)

InChIKey

AVBDTOQXBIWTCD-UHFFFAOYSA-N

Compound name

N-[2-(diethylamino)ethyl]decanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 270.26712 Da
Monoisotopic Mass: 4.4
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]+	271.27440	175.4
[M+Na]+	293.25634	176.9
[M-H]-	269.25984	175.2
[M+NH4]+	288.30094	191.9
[M+K]+	309.23028	175.8
[M+H-H2O]+	253.26438	167.9
[M+HCOO]-	315.26532	197.8
[M+CH3COO]-	329.28097	211.8
[M+Na-2H]-	291.24179	175.4
[M]+	270.26657	180.0
[M]-	270.26767	180.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe