CID 103358

Einecs 265-692-0

Structural Information

Molecular Formula

C₁₄H₃₁N₃O

SMILES

CCCCCCCCCC(=O)NCCNCCN

InChI

InChI=1S/C14H31N3O/c1-2-3-4-5-6-7-8-9-14(18)17-13-12-16-11-10-15/h16H,2-13,15H2,1H3,(H,17,18)

InChIKey

RCOYCXLWCWNBHP-UHFFFAOYSA-N

Compound name

N-[2-(2-aminoethylamino)ethyl]decanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 257.2467 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]+	258.25398	168.0
[M+Na]+	280.23592	169.3
[M-H]-	256.23942	166.1
[M+NH4]+	275.28052	183.6
[M+K]+	296.20986	166.9
[M+H-H2O]+	240.24396	160.4
[M+HCOO]-	302.24490	190.9
[M+CH3COO]-	316.26055	206.8
[M+Na-2H]-	278.22137	169.1
[M]+	257.24615	168.7
[M]-	257.24725	168.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe