CID 205251

N-(2-nitroisobutyl)piperidine

Structural Information

Molecular Formula

C₉H₁₈N₂O₂

SMILES

CC(C)(CN1CCCCC1)[N+](=O)[O-]

InChI

InChI=1S/C9H18N2O2/c1-9(2,11(12)13)8-10-6-4-3-5-7-10/h3-8H2,1-2H3

InChIKey

KWULWMUTIBFSHV-UHFFFAOYSA-N

Compound name

1-(2-methyl-2-nitropropyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 186.13683 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]+	187.14411	140.3
[M+Na]+	209.12605	150.6
[M+NH4]+	204.17065	148.1
[M+K]+	225.09999	148.1
[M-H]-	185.12955	142.1
[M+Na-2H]-	207.11150	144.7
[M]+	186.13628	142.0
[M]-	186.13738	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe