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: 9
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	142.6
[M+Na]+	209.12605	146.4
[M-H]-	185.12955	144.0
[M+NH4]+	204.17065	160.1
[M+K]+	225.09999	141.8
[M+H-H2O]+	169.13409	141.1
[M+HCOO]-	231.13503	161.3
[M+CH3COO]-	245.15068	176.7
[M+Na-2H]-	207.11150	150.0
[M]+	186.13628	137.2
[M]-	186.13738	137.2

Literature stripe

literature stripe

Patent stripe

patents stripe