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: 1331
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]+	115.086591	120.8
[M+Na]+	137.068533	126.5
[M-H]-	113.072039	123.8
[M+NH4]+	132.113138	142.1
[M+K]+	153.042473	127.1
[M+H-H2O]+	97.076575	114.2
[M+HCOO]-	159.077516	144.0
[M+CH3COO]-	173.093166	171.5
[M+Na-2H]-	135.053981	129.0
[M]+	114.07876642	117.3
[M]-	114.07986358	117.3

Literature stripe

literature stripe

Patent stripe

patents stripe