CID 52539

Hexaneazoheptane

Structural Information

Molecular Formula

C₁₃H₂₈N₂

SMILES

CCCCCCCN=NCCCCCC

InChI

InChI=1S/C13H28N2/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-13H2,1-2H3

InChIKey

LPSRJNSDSFZSGO-UHFFFAOYSA-N

Compound name

heptyl(hexyl)diazene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 212.22525 Da
Monoisotopic Mass: 5.5
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]+	213.232526	156.2
[M+Na]+	235.214468	160.0
[M-H]-	211.217974	158.0
[M+NH4]+	230.259073	176.0
[M+K]+	251.188408	159.2
[M+H-H2O]+	195.222510	149.2
[M+HCOO]-	257.223451	182.9
[M+CH3COO]-	271.239101	202.1
[M+Na-2H]-	233.199916	161.0
[M]+	212.22470142	161.7
[M]-	212.22579858	161.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.