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: 63
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]+	143.117886	140.4
[M+Na]+	165.099828	144.5
[M-H]-	141.103334	142.0
[M+NH4]+	160.144433	149.6
[M+K]+	181.073768	145.7
[M+H-H2O]+	125.107870	136.5
[M+HCOO]-	187.108811	150.4
[M+CH3COO]-	201.124461	219.7
[M+Na-2H]-	163.085276	142.0
[M]+	142.11006142	138.7
[M]-	142.11115858	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe