CID 58941798

4h,6h-furo[3,4-c][1,2,5]oxadiazol-4-one

Structural Information

Molecular Formula
C4H2N2O3
SMILES
C1C2=NON=C2C(=O)O1
InChI
InChI=1S/C4H2N2O3/c7-4-3-2(1-8-4)5-9-6-3/h1H2
InChIKey
HTBHBWVPYXTMLM-UHFFFAOYSA-N
Compound name
6H-furo[3,4-c][1,2,5]oxadiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

126.00654 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.01382 116.6
[M+Na]+ 148.99576 127.5
[M-H]- 124.99926 120.3
[M+NH4]+ 144.04036 138.0
[M+K]+ 164.96970 129.5
[M+H-H2O]+ 109.00380 111.4
[M+HCOO]- 171.00474 139.0
[M+CH3COO]- 185.02039 132.4
[M+Na-2H]- 146.98121 125.0
[M]+ 126.00599 119.8
[M]- 126.00709 119.8
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

patents stripe