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]+ 215.05502 139.8
[M+Na]+ 237.03696 149.2
[M-H]- 213.04046 146.2
[M+NH4]+ 232.08156 160.8
[M+K]+ 253.01090 150.9
[M+H-H2O]+ 197.04500 137.2
[M+HCOO]- 259.04594 160.1
[M+CH3COO]- 273.06159 185.7
[M+Na-2H]- 235.02241 142.3
[M]+ 214.04719 144.4
[M]- 214.04829 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.