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]+ 167.03389 126.8
[M+Na]+ 189.01583 137.4
[M-H]- 165.01933 133.5
[M+NH4]+ 184.06043 148.1
[M+K]+ 204.98977 138.2
[M+H-H2O]+ 149.02387 122.9
[M+HCOO]- 211.02481 148.9
[M+CH3COO]- 225.04046 176.6
[M+Na-2H]- 187.00128 134.4
[M]+ 166.02606 129.9
[M]- 166.02716 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.