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]+ 126.06619 122.0
[M+Na]+ 148.04813 130.1
[M-H]- 124.05164 121.3
[M+NH4]+ 143.09274 140.7
[M+K]+ 164.02207 129.3
[M+H-H2O]+ 108.05617 114.6
[M+HCOO]- 170.05712 139.4
[M+CH3COO]- 184.07276 134.9
[M+Na-2H]- 146.03358 130.7
[M]+ 125.05837 118.8
[M]- 125.05946 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.