CID 131751919

Arabsin

Structural Information

Molecular Formula
C15H22O4
SMILES
CC1C2C(CC3(CCC(=O)C(C3C2OC1=O)C)C)O
InChI
InChI=1S/C15H22O4/c1-7-9(16)4-5-15(3)6-10(17)11-8(2)14(18)19-13(11)12(7)15/h7-8,10-13,17H,4-6H2,1-3H3
InChIKey
SCHUPVUUEKIZGP-UHFFFAOYSA-N
Compound name
4-hydroxy-3,5a,9-trimethyl-3a,4,5,6,7,9,9a,9b-octahydro-3H-benzo[g][1]benzofuran-2,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

266.1518 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.15908 159.0
[M+Na]+ 289.14102 166.9
[M-H]- 265.14452 163.4
[M+NH4]+ 284.18562 180.2
[M+K]+ 305.11496 164.3
[M+H-H2O]+ 249.14906 155.3
[M+HCOO]- 311.15000 171.7
[M+CH3COO]- 325.16565 197.9
[M+Na-2H]- 287.12647 159.9
[M]+ 266.15125 156.6
[M]- 266.15235 156.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.