CID 12242305

1-methyl-1,4-diazocane dihydrochloride

Structural Information

Molecular Formula

C₇H₁₆N₂

SMILES

CN1CCCCNCC1

InChI

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

InChIKey

PAAPABZWHJCWPH-UHFFFAOYSA-N

Compound name

1-methyl-1,4-diazocane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 128.13135 Da
Monoisotopic Mass: 0.0
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]+	129.13863	132.4
[M+Na]+	151.12057	135.9
[M+NH4]+	146.16517	135.3
[M+K]+	167.09451	135.8
[M-H]-	127.12407	132.8
[M+Na-2H]-	149.10602	136.1
[M]+	128.13080	132.8
[M]-	128.13190	132.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe