CID 14285

Nitrocyclohexane

Structural Information

Molecular Formula

C₆H₁₁NO₂

SMILES

C1CCC(CC1)[N+](=O)[O-]

InChI

InChI=1S/C6H11NO2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2

InChIKey

NJNQUTDUIPVROZ-UHFFFAOYSA-N

Compound name

nitrocyclohexane

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 2
References: 2004
Patents: 129.07898 Da
Monoisotopic Mass: 1.8
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]+	130.08626	125.5
[M+Na]+	152.06820	130.1
[M-H]-	128.07170	128.4
[M+NH4]+	147.11280	146.4
[M+K]+	168.04214	126.0
[M+H-H2O]+	112.07624	124.9
[M+HCOO]-	174.07718	148.0
[M+CH3COO]-	188.09283	164.8
[M+Na-2H]-	150.05365	132.9
[M]+	129.07843	119.1
[M]-	129.07953	119.1

Literature stripe

literature stripe

Patent stripe

patents stripe