CID 54697666

Nsc672125

Structural Information

Molecular Formula
C17H22O10
SMILES
COC(=O)C1CCC2C(C1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC
InChI
InChI=1S/C17H22O10/c1-24-13(19)8-6-5-7-9(14(20)25-2)12(18)11(16(22)27-4)17(8,23)10(7)15(21)26-3/h7-8,10-11,18,23H,5-6H2,1-4H3
InChIKey
FTIXWUBFTAXERU-UHFFFAOYSA-N
Compound name
tetramethyl 3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.1213 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.12858 177.7
[M+Na]+ 409.11052 182.7
[M-H]- 385.11402 177.3
[M+NH4]+ 404.15512 191.4
[M+K]+ 425.08446 184.6
[M+H-H2O]+ 369.11856 173.6
[M+HCOO]- 431.11950 188.7
[M+CH3COO]- 445.13515 216.6
[M+Na-2H]- 407.09597 176.9
[M]+ 386.12075 183.5
[M]- 386.12185 183.5
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.