CID 3480590

64198-16-9

Structural Information

Molecular Formula
C12H12O6
SMILES
CC12C(=O)OC(=O)C1(C3(C2(C(=O)OC3=O)C)C)C
InChI
InChI=1S/C12H12O6/c1-9-5(13)17-6(14)10(9,2)12(4)8(16)18-7(15)11(9,12)3/h1-4H3
InChIKey
GTDPSWPPOUPBNX-UHFFFAOYSA-N
Compound name
1,2,6,7-tetramethyl-4,9-dioxatricyclo[5.3.0.02,6]decane-3,5,8,10-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83512
Patents

252.06339 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.070666 136.9
[M+Na]+ 275.052608 148.5
[M-H]- 251.056114 145.3
[M+NH4]+ 270.097213 158.8
[M+K]+ 291.026548 150.6
[M+H-H2O]+ 235.060650 135.3
[M+HCOO]- 297.061591 155.0
[M+CH3COO]- 311.077241 197.0
[M+Na-2H]- 273.038056 145.9
[M]+ 252.06284142 153.0
[M]- 252.06393858 153.0
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

patents stripe