CID 56972735

4h,5h,6h,7h-[1,2,5]oxadiazolo[3,4-c]pyridine

Structural Information

Molecular Formula
C5H7N3O
SMILES
C1CNCC2=NON=C21
InChI
InChI=1S/C5H7N3O/c1-2-6-3-5-4(1)7-9-8-5/h6H,1-3H2
InChIKey
MNWOPDVRQVINKA-UHFFFAOYSA-N
Compound name
4,5,6,7-tetrahydro-[1,2,5]oxadiazolo[3,4-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

125.058914 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.066190 122.0
[M+Na]+ 148.048132 130.1
[M-H]- 124.051638 121.3
[M+NH4]+ 143.092737 140.7
[M+K]+ 164.022072 129.3
[M+H-H2O]+ 108.056174 114.6
[M+HCOO]- 170.057115 139.4
[M+CH3COO]- 184.072765 134.9
[M+Na-2H]- 146.033580 130.7
[M]+ 125.05836542 118.8
[M]- 125.05946258 118.8
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

No patent data available for this compound.