CID 92327

4-tert-butylnitrosopiperidine

Structural Information

Molecular Formula

C₉H₁₈N₂O

SMILES

CC(C)(C)C1CCN(CC1)N=O

InChI

InChI=1S/C9H18N2O/c1-9(2,3)8-4-6-11(10-12)7-5-8/h8H,4-7H2,1-3H3

InChIKey

XVZWACWGVWVKEW-UHFFFAOYSA-N

Compound name

4-tert-butyl-1-nitrosopiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 170.1419 Da
Monoisotopic Mass: 2.5
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]+	171.149176	139.1
[M+Na]+	193.131118	144.7
[M-H]-	169.134624	142.2
[M+NH4]+	188.175723	158.8
[M+K]+	209.105058	144.7
[M+H-H2O]+	153.139160	132.8
[M+HCOO]-	215.140101	159.4
[M+CH3COO]-	229.155751	184.5
[M+Na-2H]-	191.116566	145.2
[M]+	170.14135142	137.0
[M]-	170.14244858	137.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.