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]+	157.16992	136.9
[M+Na]+	179.15186	140.0
[M-H]-	155.15536	132.3
[M+NH4]+	174.19646	151.5
[M+K]+	195.12580	139.2
[M+H-H2O]+	139.15990	132.5
[M+HCOO]-	201.16084	151.1
[M+CH3COO]-	215.17649	169.6
[M+Na-2H]-	177.13731	140.3
[M]+	156.16209	125.7
[M]-	156.16319	125.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe