CID 177722

16121-92-9

Structural Information

Molecular Formula

C₁₄H₃₂N₂

SMILES

CC(C)CNCCCCCCNCC(C)C

InChI

InChI=1S/C14H32N2/c1-13(2)11-15-9-7-5-6-8-10-16-12-14(3)4/h13-16H,5-12H2,1-4H3

InChIKey

LTRQCWUIJWVNNK-UHFFFAOYSA-N

Compound name

N,N'-bis(2-methylpropyl)hexane-1,6-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 109
Patents: 228.25655 Da
Monoisotopic Mass: 3.5
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]+	229.26383	162.5
[M+Na]+	251.24577	169.1
[M+NH4]+	246.29037	169.2
[M+K]+	267.21971	162.6
[M-H]-	227.24927	162.8
[M+Na-2H]-	249.23122	164.1
[M]+	228.25600	163.1
[M]-	228.25710	163.1

Literature stripe

literature stripe

Patent stripe

patents stripe