CID 181864

1,3-propanediamine, n1-(3-aminopropyl)-n3-dodecyl-

Structural Information

Molecular Formula

C₁₈H₄₁N₃

SMILES

CCCCCCCCCCCCNCCCNCCCN

InChI

InChI=1S/C18H41N3/c1-2-3-4-5-6-7-8-9-10-11-15-20-17-13-18-21-16-12-14-19/h20-21H,2-19H2,1H3

InChIKey

FNDBKEJKVBORFC-UHFFFAOYSA-N

Compound name

N'-[3-(dodecylamino)propyl]propane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 85
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]+	300.337326	181.6
[M+Na]+	322.319268	181.1
[M-H]-	298.322774	178.8
[M+NH4]+	317.363873	195.7
[M+K]+	338.293208	177.5
[M+H-H2O]+	282.327310	173.4
[M+HCOO]-	344.328251	203.8
[M+CH3COO]-	358.343901	217.6
[M+Na-2H]-	320.304716	182.1
[M]+	299.32950142	184.0
[M]-	299.33059858	184.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe