CID 14779601

Ridentin b

Structural Information

Molecular Formula
C15H20O4
SMILES
CC12CCC3C(C1C(=C)C(CC2O)O)OC(=O)C3=C
InChI
InChI=1S/C15H20O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h9-13,16-17H,1-2,4-6H2,3H3
InChIKey
CXFAEUSGWYVIJU-UHFFFAOYSA-N
Compound name
6,8-dihydroxy-5a-methyl-3,9-dimethylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

264.13617 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 158.6
[M+Na]+ 287.12539 166.4
[M-H]- 263.12889 161.6
[M+NH4]+ 282.16999 179.1
[M+K]+ 303.09933 162.4
[M+H-H2O]+ 247.13343 155.3
[M+HCOO]- 309.13437 169.9
[M+CH3COO]- 323.15002 195.0
[M+Na-2H]- 285.11084 159.1
[M]+ 264.13562 153.7
[M]- 264.13672 153.7
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

patents stripe