CID 69966

1,11-diaminoundecane

Structural Information

Molecular Formula

C₁₁H₂₆N₂

SMILES

C(CCCCCN)CCCCCN

InChI

InChI=1S/C11H26N2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h1-13H2

InChIKey

KLNPWTHGTVSSEU-UHFFFAOYSA-N

Compound name

undecane-1,11-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 20794
Patents: 186.2096 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]+	187.21688	149.4
[M+Na]+	209.19882	152.7
[M-H]-	185.20232	147.5
[M+NH4]+	204.24342	168.2
[M+K]+	225.17276	150.4
[M+H-H2O]+	169.20686	143.1
[M+HCOO]-	231.20780	172.2
[M+CH3COO]-	245.22345	190.8
[M+Na-2H]-	207.18427	152.1
[M]+	186.20905	148.8
[M]-	186.21015	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe