CID 85679404

3-methyl-4h,6h,7h-furo[3,2-c]pyran-4,6-dione

Structural Information

Molecular Formula
C8H6O4
SMILES
CC1=COC2=C1C(=O)OC(=O)C2
InChI
InChI=1S/C8H6O4/c1-4-3-11-5-2-6(9)12-8(10)7(4)5/h3H,2H2,1H3
InChIKey
VWONJJTXQGNTDY-UHFFFAOYSA-N
Compound name
3-methyl-7H-furo[3,2-c]pyran-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.02661 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.033886 126.8
[M+Na]+ 189.015828 137.4
[M-H]- 165.019334 133.5
[M+NH4]+ 184.060433 148.1
[M+K]+ 204.989768 138.2
[M+H-H2O]+ 149.023870 122.9
[M+HCOO]- 211.024811 148.9
[M+CH3COO]- 225.040461 176.6
[M+Na-2H]- 187.001276 134.4
[M]+ 166.02606142 129.9
[M]- 166.02715858 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

No patent data available for this compound.