CID 12647651

76311-86-9

Structural Information

Molecular Formula
C9H10O6
SMILES
CC1C2C(C(=O)OC2C(=O)O1)C(=O)OC
InChI
InChI=1S/C9H10O6/c1-3-4-5(7(10)13-2)8(11)15-6(4)9(12)14-3/h3-6H,1-2H3
InChIKey
YQKFJYZRWMTMOL-UHFFFAOYSA-N
Compound name
methyl 4-methyl-2,6-dioxo-3,3a,4,6a-tetrahydrofuro[3,4-b]furan-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.04774 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.055016 139.8
[M+Na]+ 237.036958 149.2
[M-H]- 213.040464 146.2
[M+NH4]+ 232.081563 160.8
[M+K]+ 253.010898 150.9
[M+H-H2O]+ 197.045000 137.2
[M+HCOO]- 259.045941 160.1
[M+CH3COO]- 273.061591 185.7
[M+Na-2H]- 235.022406 142.3
[M]+ 214.04719142 144.4
[M]- 214.04828858 144.4
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.