CID 11182791

3-methyl-5h,7h-furo[3,4-b]pyridine-5,7-dione

Structural Information

Molecular Formula
C8H5NO3
SMILES
CC1=CC2=C(C(=O)OC2=O)N=C1
InChI
InChI=1S/C8H5NO3/c1-4-2-5-6(9-3-4)8(11)12-7(5)10/h2-3H,1H3
InChIKey
DRUFNYZWKFIYCC-UHFFFAOYSA-N
Compound name
3-methylfuro[3,4-b]pyridine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

163.02695 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.03423 127.0
[M+Na]+ 186.01617 138.6
[M-H]- 162.01967 131.9
[M+NH4]+ 181.06077 148.5
[M+K]+ 201.99011 137.7
[M+H-H2O]+ 146.02421 121.8
[M+HCOO]- 208.02515 150.0
[M+CH3COO]- 222.04080 176.5
[M+Na-2H]- 184.00162 134.3
[M]+ 163.02640 129.9
[M]- 163.02750 129.9
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