CID 19019828

1-methyl-1,5-diazocane dihydrochloride

Structural Information

Molecular Formula

C₇H₁₆N₂

SMILES

CN1CCCNCCC1

InChI

InChI=1S/C7H16N2/c1-9-6-2-4-8-5-3-7-9/h8H,2-7H2,1H3

InChIKey

FBMOOJFGIWOUJA-UHFFFAOYSA-N

Compound name

1-methyl-1,5-diazocane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 128.13135 Da
Monoisotopic Mass: 0.3
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]+	129.138626	138.9
[M+Na]+	151.120568	142.9
[M-H]-	127.124074	138.6
[M+NH4]+	146.165173	147.4
[M+K]+	167.094508	143.4
[M+H-H2O]+	111.128610	135.0
[M+HCOO]-	173.129551	146.5
[M+CH3COO]-	187.145201	216.1
[M+Na-2H]-	149.106016	140.1
[M]+	128.13080142	135.9
[M]-	128.13189858	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe