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

29114
Patents

252.06339 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.07067 136.9
[M+Na]+ 275.05261 148.5
[M-H]- 251.05611 145.3
[M+NH4]+ 270.09721 158.8
[M+K]+ 291.02655 150.6
[M+H-H2O]+ 235.06065 135.3
[M+HCOO]- 297.06159 155.0
[M+CH3COO]- 311.07724 197.0
[M+Na-2H]- 273.03806 145.9
[M]+ 252.06284 153.0
[M]- 252.06394 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