CID 409894

105786-95-6

Structural Information

Molecular Formula

C₆H₉N₂O₂

SMILES

C1CC[N+]2=C(C1)C(=O)ON2

InChI

InChI=1S/C6H8N2O2/c9-6-5-3-1-2-4-8(5)7-10-6/h1-4H2/p+1

InChIKey

OBCUGZUJWKHNHA-UHFFFAOYSA-O

Compound name

4,5,6,7-tetrahydro-1H-oxadiazolo[3,4-a]pyridin-8-ium-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 141.0664 Da
Monoisotopic Mass: 0.6
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]+	142.07368	124.4
[M+Na]+	164.05562	133.1
[M-H]-	140.05912	125.9
[M+NH4]+	159.10022	143.9
[M+K]+	180.02956	126.6
[M+H-H2O]+	124.06366	120.9
[M+HCOO]-	186.06460	143.1
[M+CH3COO]-	200.08025	160.7
[M+Na-2H]-	162.04107	134.8
[M]+	141.06585	121.0
[M]-	141.06695	121.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe