CID 74426514

1alpha-hydroxyarbusculin a

Structural Information

Molecular Formula
C15H22O4
SMILES
CC12CCC3C(C1C(CCC2O)(C)O)OC(=O)C3=C
InChI
InChI=1S/C15H22O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h9-12,16,18H,1,4-7H2,2-3H3
InChIKey
LVABKRFKENTQBT-UHFFFAOYSA-N
Compound name
6,9-dihydroxy-5a,9-dimethyl-3-methylidene-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

266.1518 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15908 160.7
[M+Na]+ 289.14102 169.2
[M+NH4]+ 284.18562 171.1
[M+K]+ 305.11496 162.7
[M-H]- 265.14452 162.1
[M+Na-2H]- 287.12647 162.0
[M]+ 266.15125 162.3
[M]- 266.15235 162.3
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