CID 106636

68123-06-8

Structural Information

Molecular Formula

C₁₄H₃₂N₂O

SMILES

CCCCCCCCOCCCNCCCN

InChI

InChI=1S/C14H32N2O/c1-2-3-4-5-6-7-13-17-14-9-12-16-11-8-10-15/h16H,2-15H2,1H3

InChIKey

PLVXZTCCPYSWNN-UHFFFAOYSA-N

Compound name

N'-(3-octoxypropyl)propane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 74
Patents: 244.25146 Da
Monoisotopic Mass: 2.8
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]+	245.258736	165.1
[M+Na]+	267.240678	167.2
[M-H]-	243.244184	163.1
[M+NH4]+	262.285283	181.8
[M+K]+	283.214618	164.9
[M+H-H2O]+	227.248720	158.0
[M+HCOO]-	289.249661	187.9
[M+CH3COO]-	303.265311	202.5
[M+Na-2H]-	265.226126	167.4
[M]+	244.25091142	168.2
[M]-	244.25200858	168.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe