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

40
Patents

141.0664 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.073676 124.4
[M+Na]+ 164.055618 133.1
[M-H]- 140.059124 125.9
[M+NH4]+ 159.100223 143.9
[M+K]+ 180.029558 126.6
[M+H-H2O]+ 124.063660 120.9
[M+HCOO]- 186.064601 143.1
[M+CH3COO]- 200.080251 160.7
[M+Na-2H]- 162.041066 134.8
[M]+ 141.06585142 121.0
[M]- 141.06694858 121.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe