CID 13116335

Ns00126560

Structural Information

Molecular Formula

C₆H₁₀N₂O₂

SMILES

C1CCC(C(C1)N=O)N=O

InChI

InChI=1S/C6H10N2O2/c9-7-5-3-1-2-4-6(5)8-10/h5-6H,1-4H2

InChIKey

XCJOMFFNVGLZCV-UHFFFAOYSA-N

Compound name

1,2-dinitrosocyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 290
Patents: 142.07423 Da
Monoisotopic Mass: 0.2
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	125.0
[M+Na]+	165.063448	131.1
[M-H]-	141.066954	131.1
[M+NH4]+	160.108053	147.1
[M+K]+	181.037388	132.2
[M+H-H2O]+	125.071490	118.7
[M+HCOO]-	187.072431	152.1
[M+CH3COO]-	201.088081	181.8
[M+Na-2H]-	163.048896	132.8
[M]+	142.07368142	123.7
[M]-	142.07477858	123.7

Literature stripe

literature stripe

Patent stripe

patents stripe