CID 7526

N-nitrosopiperidine

Structural Information

Molecular Formula

C₅H₁₀N₂O

SMILES

C1CCN(CC1)N=O

InChI

InChI=1S/C5H10N2O/c8-6-7-4-2-1-3-5-7/h1-5H2

InChIKey

UWSDONTXWQOZFN-UHFFFAOYSA-N

Compound name

1-nitrosopiperidine

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 141
References: 1267
Patents: 114.079315 Da
Monoisotopic Mass: 0.4
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]+	115.08659	120.8
[M+Na]+	137.06853	126.5
[M-H]-	113.07204	123.8
[M+NH4]+	132.11314	142.1
[M+K]+	153.04247	127.1
[M+H-H2O]+	97.076575	114.2
[M+HCOO]-	159.07752	144.0
[M+CH3COO]-	173.09317	171.5
[M+Na-2H]-	135.05398	129.0
[M]+	114.07877	117.3
[M]-	114.07986	117.3

Literature stripe

literature stripe

Patent stripe

patents stripe