CID 5248373

1,5-diazocane dihydrochloride

Structural Information

Molecular Formula

C₆H₁₄N₂

SMILES

C1CNCCCNC1

InChI

InChI=1S/C6H14N2/c1-3-7-5-2-6-8-4-1/h7-8H,1-6H2

InChIKey

HTSQWLLKIZBMEO-UHFFFAOYSA-N

Compound name

1,5-diazocane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 983
Patents: 114.1157 Da
Monoisotopic Mass: -0.1
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]+	115.122976	134.8
[M+Na]+	137.104918	138.4
[M-H]-	113.108424	133.8
[M+NH4]+	132.149523	143.1
[M+K]+	153.078858	138.7
[M+H-H2O]+	97.112960	131.1
[M+HCOO]-	159.113901	141.9
[M+CH3COO]-	173.129551	139.5
[M+Na-2H]-	135.090366	136.6
[M]+	114.11515142	130.7
[M]-	114.11624858	130.7

Literature stripe

literature stripe

Patent stripe

patents stripe