CID 134940

Hexanediamine

Structural Information

Molecular Formula

C₆H₁₆N₂

SMILES

CCCCCC(N)N

InChI

InChI=1S/C6H16N2/c1-2-3-4-5-6(7)8/h6H,2-5,7-8H2,1H3

InChIKey

SYECJBOWSGTPLU-UHFFFAOYSA-N

Compound name

hexane-1,1-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 31640
Patents: 116.13135 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]+	117.138626	128.3
[M+Na]+	139.120568	133.5
[M-H]-	115.124074	127.4
[M+NH4]+	134.165173	149.8
[M+K]+	155.094508	133.0
[M+H-H2O]+	99.128610	123.1
[M+HCOO]-	161.129551	151.8
[M+CH3COO]-	175.145201	176.3
[M+Na-2H]-	137.106016	132.2
[M]+	116.13080142	125.1
[M]-	116.13189858	125.1

Literature stripe

literature stripe

Patent stripe

patents stripe