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 185.9
[M+Na]+ 387.17782 191.7
[M-H]- 363.18132 185.0
[M+NH4]+ 382.22242 208.4
[M+K]+ 403.15176 186.3
[M+H-H2O]+ 347.18586 185.0
[M+HCOO]- 409.18680 190.1
[M+CH3COO]- 423.20245 211.1
[M+Na-2H]- 385.16327 183.6
[M]+ 364.18805 181.4
[M]- 364.18915 181.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.