CID 165172

1,1-dinitrocyclohexane

Structural Information

Molecular Formula

C₆H₁₀N₂O₄

SMILES

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

InChI

InChI=1S/C6H10N2O4/c9-7(10)6(8(11)12)4-2-1-3-5-6/h1-5H2

InChIKey

OWJVEZJJRYZWNI-UHFFFAOYSA-N

Compound name

1,1-dinitrocyclohexane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 85
Patents: 174.06406 Da
Monoisotopic Mass: 1.7
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]+	175.07134	138.8
[M+Na]+	197.05328	149.6
[M+NH4]+	192.09788	148.0
[M+K]+	213.02722	147.8
[M-H]-	173.05678	142.4
[M+Na-2H]-	195.03873	144.2
[M]+	174.06351	141.1
[M]-	174.06461	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe