CID 54686209

Nsc658463

Structural Information

Molecular Formula
C15H20O6
SMILES
CC1(C2CC(=O)CC1C(=C(C2C(=O)OC)O)C(=O)OC)C
InChI
InChI=1S/C15H20O6/c1-15(2)8-5-7(16)6-9(15)11(14(19)21-4)12(17)10(8)13(18)20-3/h8-10,17H,5-6H2,1-4H3
InChIKey
XEJQTYPNCMSCGP-UHFFFAOYSA-N
Compound name
dimethyl 3-hydroxy-9,9-dimethyl-7-oxobicyclo[3.3.1]non-2-ene-2,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.12598 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.13326 162.2
[M+Na]+ 319.11520 169.7
[M-H]- 295.11870 163.8
[M+NH4]+ 314.15980 181.0
[M+K]+ 335.08914 168.8
[M+H-H2O]+ 279.12324 158.1
[M+HCOO]- 341.12418 176.6
[M+CH3COO]- 355.13983 203.5
[M+Na-2H]- 317.10065 163.6
[M]+ 296.12543 165.1
[M]- 296.12653 165.1
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.