CID 30360

N-nitrosoheptamethyleneimine

Structural Information

Molecular Formula

C₇H₁₄N₂O

SMILES

C1CCCN(CCC1)N=O

InChI

InChI=1S/C7H14N2O/c10-8-9-6-4-2-1-3-5-7-9/h1-7H2

InChIKey

RCFKQVLHWYOSFF-UHFFFAOYSA-N

Compound name

1-nitrosoazocane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 18
References: 53
Patents: 142.11061 Da
Monoisotopic Mass: 1.5
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]+	143.11789	133.5
[M+Na]+	165.09983	136.8
[M+NH4]+	160.14443	136.4
[M+K]+	181.07377	136.7
[M-H]-	141.10333	134.3
[M+Na-2H]-	163.08528	137.3
[M]+	142.11006	134.0
[M]-	142.11116	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe