CID 258107

7472-18-6

Structural Information

Molecular Formula
C8H7NO3
SMILES
CC1=CC2=C(C(=O)N1)C(=O)OC2
InChI
InChI=1S/C8H7NO3/c1-4-2-5-3-12-8(11)6(5)7(10)9-4/h2H,3H2,1H3,(H,9,10)
InChIKey
SLSNRHKXUKXMGH-UHFFFAOYSA-N
Compound name
6-methyl-1,5-dihydrofuro[3,4-c]pyridine-3,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.04259 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.049866 128.3
[M+Na]+ 188.031808 139.5
[M-H]- 164.035314 131.9
[M+NH4]+ 183.076413 149.1
[M+K]+ 204.005748 137.7
[M+H-H2O]+ 148.039850 123.4
[M+HCOO]- 210.040791 149.8
[M+CH3COO]- 224.056441 174.1
[M+Na-2H]- 186.017256 135.2
[M]+ 165.04204142 129.5
[M]- 165.04313858 129.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.