CID 366352

Nsc634712

Structural Information

Molecular Formula
C20H24O10
SMILES
CC1CCC23C1(C(C(=O)C2C(=O)OC)C(=O)OC)C(C(=O)C3C(=O)OC)C(=O)OC
InChI
InChI=1S/C20H24O10/c1-8-6-7-19-9(15(23)27-2)13(21)11(17(25)29-4)20(8,19)12(18(26)30-5)14(22)10(19)16(24)28-3/h8-12H,6-7H2,1-5H3
InChIKey
OZPJQBRTEKJEQL-UHFFFAOYSA-N
Compound name
tetramethyl 9-methyl-3,7-dioxotricyclo[3.3.3.01,5]undecane-2,4,6,8-tetracarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.13693 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.14421 185.5
[M+Na]+ 447.12615 191.9
[M-H]- 423.12965 192.6
[M+NH4]+ 442.17075 205.6
[M+K]+ 463.10009 192.7
[M+H-H2O]+ 407.13419 185.5
[M+HCOO]- 469.13513 201.9
[M+CH3COO]- 483.15078 225.2
[M+Na-2H]- 445.11160 180.8
[M]+ 424.13638 193.4
[M]- 424.13748 193.4
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.