CID 3016444

45244-49-3

Structural Information

Molecular Formula

C₁₆H₃₅N₃O

SMILES

CCCCCCCCCCCC(=O)NCCNCCN

InChI

InChI=1S/C16H35N3O/c1-2-3-4-5-6-7-8-9-10-11-16(20)19-15-14-18-13-12-17/h18H,2-15,17H2,1H3,(H,19,20)

InChIKey

IKGMUURUKOAOQL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 285.278 Da
Monoisotopic Mass: 3.3
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]+	286.28528	176.6
[M+Na]+	308.26722	177.1
[M-H]-	284.27072	174.3
[M+NH4]+	303.31182	191.1
[M+K]+	324.24116	174.3
[M+H-H2O]+	268.27526	168.7
[M+HCOO]-	330.27620	198.9
[M+CH3COO]-	344.29185	212.8
[M+Na-2H]-	306.25267	176.8
[M]+	285.27745	178.1
[M]-	285.27855	178.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe