CID 27026

4-methylnitrosopiperidine

Structural Information

Molecular Formula

C₆H₁₂N₂O

SMILES

CC1CCN(CC1)N=O

InChI

InChI=1S/C6H12N2O/c1-6-2-4-8(7-9)5-3-6/h6H,2-5H2,1H3

InChIKey

AQIASOPYWNTZSK-UHFFFAOYSA-N

Compound name

4-methyl-1-nitrosopiperidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 3
Patents: 128.09496 Da
Monoisotopic Mass: 1.1
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]+	129.10224	125.2
[M+Na]+	151.08418	131.5
[M-H]-	127.08768	128.4
[M+NH4]+	146.12878	146.3
[M+K]+	167.05812	131.8
[M+H-H2O]+	111.09222	118.6
[M+HCOO]-	173.09316	148.0
[M+CH3COO]-	187.10881	175.7
[M+Na-2H]-	149.06963	132.1
[M]+	128.09441	122.4
[M]-	128.09551	122.4

Literature stripe

literature stripe

Patent stripe

patents stripe