CID 75407

2372-82-9

Structural Information

Molecular Formula

C₁₈H₄₁N₃

SMILES

CCCCCCCCCCCCN(CCCN)CCCN

InChI

InChI=1S/C18H41N3/c1-2-3-4-5-6-7-8-9-10-11-16-21(17-12-14-19)18-13-15-20/h2-20H2,1H3

InChIKey

NYNKJVPRTLBJNQ-UHFFFAOYSA-N

Compound name

N'-(3-aminopropyl)-N'-dodecylpropane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 10
References: 2887
Patents: 299.33005 Da
Monoisotopic Mass: 4.7
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]+	300.33733	182.5
[M+Na]+	322.31927	187.3
[M+NH4]+	317.36387	188.2
[M+K]+	338.29321	179.7
[M-H]-	298.32277	183.3
[M+Na-2H]-	320.30472	182.9
[M]+	299.32950	182.9
[M]-	299.33060	182.9

Literature stripe

literature stripe

Patent stripe

patents stripe