CID 135492011

1,2-cyclohexanedione, 1,2-dioxime

Structural Information

Molecular Formula

C₆H₁₀N₂O₂

SMILES

C1CCC(=NO)C(=NO)C1

InChI

InChI=1S/C6H10N2O2/c9-7-5-3-1-2-4-6(5)8-10/h9-10H,1-4H2

InChIKey

CUNNCKOPAWXYDX-UHFFFAOYSA-N

Compound name

N-(2-hydroxyiminocyclohexylidene)hydroxylamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 1837
Patents: 142.07423 Da
Monoisotopic Mass: 0.5
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]+	143.081506	126.8
[M+Na]+	165.063448	132.2
[M-H]-	141.066954	130.0
[M+NH4]+	160.108053	147.5
[M+K]+	181.037388	131.4
[M+H-H2O]+	125.071490	121.0
[M+HCOO]-	187.072431	150.8
[M+CH3COO]-	201.088081	175.2
[M+Na-2H]-	163.048896	133.5
[M]+	142.07368142	121.4
[M]-	142.07477858	121.4

Literature stripe

literature stripe

Patent stripe

patents stripe