CID 13944243

Alkhanin

Structural Information

Molecular Formula
C15H20O4
SMILES
CC1C2CCC3(C(CC(=O)C(=C3C2OC1=O)C)O)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/h7,9,11,13,17H,4-6H2,1-3H3
InChIKey
RARZBOWMYCHUMB-UHFFFAOYSA-N
Compound name
6-hydroxy-3,5a,9-trimethyl-3a,4,5,6,7,9b-hexahydro-3H-benzo[g][1]benzofuran-2,8-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
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 159.0
[M+Na]+ 287.12539 169.3
[M+NH4]+ 282.16999 168.4
[M+K]+ 303.09933 164.2
[M-H]- 263.12889 161.2
[M+Na-2H]- 285.11084 159.9
[M]+ 264.13562 161.0
[M]- 264.13672 161.0
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