CID 209849

Sydnone, 3-cyclohexyl-

Structural Information

Molecular Formula

C₈H₁₃N₂O₂

SMILES

C1CCC(CC1)[N+]2=CC(=O)ON2

InChI

InChI=1S/C8H12N2O2/c11-8-6-10(9-12-8)7-4-2-1-3-5-7/h6-7H,1-5H2/p+1

InChIKey

LBWGAPRXZZUQPR-UHFFFAOYSA-O

Compound name

3-cyclohexyl-2H-oxadiazol-3-ium-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 169.0977 Da
Monoisotopic Mass: 2.0
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]+	170.10498	132.9
[M+Na]+	192.08692	146.2
[M+NH4]+	187.13152	141.7
[M+K]+	208.06086	143.6
[M-H]-	168.09042	137.3
[M+Na-2H]-	190.07237	139.4
[M]+	169.09715	136.1
[M]-	169.09825	136.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe