CID 9837711

86423-37-2

Structural Information

Molecular Formula

C₁₄H₃₃N₃

SMILES

CCCCCCCCN(CCCN)CCCN

InChI

InChI=1S/C14H33N3/c1-2-3-4-5-6-7-12-17(13-8-10-15)14-9-11-16/h2-16H2,1H3

InChIKey

INAQHJUDGSEXDR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 358
Patents: 243.26744 Da
Monoisotopic Mass: 2.5
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]+	244.274716	166.6
[M+Na]+	266.256658	168.0
[M-H]-	242.260164	165.6
[M+NH4]+	261.301263	183.4
[M+K]+	282.230598	166.4
[M+H-H2O]+	226.264700	159.0
[M+HCOO]-	288.265641	190.0
[M+CH3COO]-	302.281291	208.3
[M+Na-2H]-	264.242106	167.2
[M]+	243.26689142	167.6
[M]-	243.26798858	167.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe