CID 106227

Einecs 267-931-4

Structural Information

Molecular Formula

C₁₂H₂₉N₃

SMILES

CCNCCCN(CC)CCCNCC

InChI

InChI=1S/C12H29N3/c1-4-13-9-7-11-15(6-3)12-8-10-14-5-2/h13-14H,4-12H2,1-3H3

InChIKey

WGMLAJNLNAEBAH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 5
Patents: 215.23615 Da
Monoisotopic Mass: 1.2
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]+	216.243426	157.7
[M+Na]+	238.225368	160.0
[M-H]-	214.228874	158.2
[M+NH4]+	233.269973	176.2
[M+K]+	254.199308	159.5
[M+H-H2O]+	198.233410	150.5
[M+HCOO]-	260.234351	183.0
[M+CH3COO]-	274.250001	203.6
[M+Na-2H]-	236.210816	161.4
[M]+	215.23560142	160.1
[M]-	215.23669858	160.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe