CID 66635323

1-methyl-1,5-diazecane dihydrochloride

Structural Information

Molecular Formula

C₉H₂₀N₂

SMILES

CN1CCCCCNCCC1

InChI

InChI=1S/C9H20N2/c1-11-8-4-2-3-6-10-7-5-9-11/h10H,2-9H2,1H3

InChIKey

OMZLOWKBOYKALQ-UHFFFAOYSA-N

Compound name

1-methyl-1,5-diazecane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 156.16264 Da
Monoisotopic Mass: 1.0
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]+	157.169916	136.9
[M+Na]+	179.151858	140.0
[M-H]-	155.155364	132.3
[M+NH4]+	174.196463	151.5
[M+K]+	195.125798	139.2
[M+H-H2O]+	139.159900	132.5
[M+HCOO]-	201.160841	151.1
[M+CH3COO]-	215.176491	169.6
[M+Na-2H]-	177.137306	140.3
[M]+	156.16209142	125.7
[M]-	156.16318858	125.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe