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

10
Patents

264.13617 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.143446 157.4
[M+Na]+ 287.125388 166.3
[M-H]- 263.128894 162.2
[M+NH4]+ 282.169993 178.8
[M+K]+ 303.099328 163.7
[M+H-H2O]+ 247.133430 153.6
[M+HCOO]- 309.134371 171.6
[M+CH3COO]- 323.150021 197.5
[M+Na-2H]- 285.110836 159.3
[M]+ 264.13562142 156.5
[M]- 264.13671858 156.5
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