CID 110235

68413-93-4

Structural Information

Molecular Formula

C₁₅H₃₆N₄

SMILES

CCN(CC)CCNCCCNCCN(CC)CC

InChI

InChI=1S/C15H36N4/c1-5-18(6-2)14-12-16-10-9-11-17-13-15-19(7-3)8-4/h16-17H,5-15H2,1-4H3

InChIKey

DNLSJBVDVPAZJP-UHFFFAOYSA-N

Compound name

N,N'-bis[2-(diethylamino)ethyl]propane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 272.294 Da
Monoisotopic Mass: 1.3
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]+	273.30128	175.3
[M+Na]+	295.28322	175.6
[M-H]-	271.28672	176.5
[M+NH4]+	290.32782	191.7
[M+K]+	311.25716	175.8
[M+H-H2O]+	255.29126	166.7
[M+HCOO]-	317.29220	201.0
[M+CH3COO]-	331.30785	221.0
[M+Na-2H]-	293.26867	176.8
[M]+	272.29345	179.2
[M]-	272.29455	179.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe