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]+ 166.04987 128.3
[M+Na]+ 188.03181 139.5
[M-H]- 164.03531 131.9
[M+NH4]+ 183.07641 149.1
[M+K]+ 204.00575 137.7
[M+H-H2O]+ 148.03985 123.4
[M+HCOO]- 210.04079 149.8
[M+CH3COO]- 224.05644 174.1
[M+Na-2H]- 186.01726 135.2
[M]+ 165.04204 129.5
[M]- 165.04314 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.