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: 2371
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]+	130.086256	125.5
[M+Na]+	152.068198	130.1
[M-H]-	128.071704	128.4
[M+NH4]+	147.112803	146.4
[M+K]+	168.042138	126.0
[M+H-H2O]+	112.076240	124.9
[M+HCOO]-	174.077181	148.0
[M+CH3COO]-	188.092831	164.8
[M+Na-2H]-	150.053646	132.9
[M]+	129.07843142	119.1
[M]-	129.07952858	119.1

Literature stripe

literature stripe

Patent stripe

patents stripe