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

29097
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 149.2
[M+Na]+ 275.05261 153.3
[M+NH4]+ 270.09721 156.8
[M+K]+ 291.02655 149.4
[M-H]- 251.05611 147.2
[M+Na-2H]- 273.03806 150.5
[M]+ 252.06284 148.4
[M]- 252.06394 148.4
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

patents stripe