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

3
Annotation Hits: 18
References: 54
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	140.4
[M+Na]+	165.09983	144.5
[M-H]-	141.10333	142.0
[M+NH4]+	160.14443	149.6
[M+K]+	181.07377	145.7
[M+H-H2O]+	125.10787	136.5
[M+HCOO]-	187.10881	150.4
[M+CH3COO]-	201.12446	219.7
[M+Na-2H]-	163.08528	142.0
[M]+	142.11006	138.7
[M]-	142.11116	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe