CID 131752448

Chebi:175672

Structural Information

Molecular Formula
C20H28O6
SMILES
CC12CCC(C(C1C(C34C2CC(C(C3)C(=C)C4)O)C(=O)O)(C)C(=O)O)O
InChI
InChI=1S/C20H28O6/c1-9-7-20-8-10(9)11(21)6-12(20)18(2)5-4-13(22)19(3,17(25)26)15(18)14(20)16(23)24/h10-15,21-22H,1,4-8H2,2-3H3,(H,23,24)(H,25,26)
InChIKey
RKDWVYHBXWADKI-UHFFFAOYSA-N
Compound name
5,11-dihydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

364.1886 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.19588 182.5
[M+Na]+ 387.17782 185.9
[M+NH4]+ 382.22242 191.9
[M+K]+ 403.15176 181.9
[M-H]- 363.18132 179.1
[M+Na-2H]- 385.16327 180.2
[M]+ 364.18805 181.8
[M]- 364.18915 181.8
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.