CID 30361

N-nitrosoazacyclononane

Structural Information

Molecular Formula

C₈H₁₆N₂O

SMILES

C1CCCCN(CCC1)N=O

InChI

InChI=1S/C8H16N2O/c11-9-10-7-5-3-1-2-4-6-8-10/h1-8H2

InChIKey

DTEBJZRWYBQINZ-UHFFFAOYSA-N

Compound name

1-nitrosoazonane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 0
Patents: 156.12627 Da
Monoisotopic Mass: 2.0
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]+	157.13355	183.5
[M+Na]+	179.11549	186.1
[M-H]-	155.11899	183.8
[M+NH4]+	174.16009	184.0
[M+K]+	195.08943	183.9
[M+H-H2O]+	139.12353	175.4
[M+HCOO]-	201.12447	184.9
[M+CH3COO]-	215.14012	185.8
[M+Na-2H]-	177.10094	187.2
[M]+	156.12572	184.4
[M]-	156.12682	184.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.