CID 131751897

Istanbulin b

Structural Information

Molecular Formula
C15H20O3
SMILES
CC1CCC(=O)C2C1(CC3=C(C(=O)OC3C2)C)C
InChI
InChI=1S/C15H20O3/c1-8-4-5-12(16)11-6-13-10(7-15(8,11)3)9(2)14(17)18-13/h8,11,13H,4-7H2,1-3H3
InChIKey
IXMDYOSMFGVWJY-UHFFFAOYSA-N
Compound name
3,4a,5-trimethyl-5,6,7,8a,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.14125 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 154.4
[M+Na]+ 271.13047 163.1
[M-H]- 247.13397 160.3
[M+NH4]+ 266.17507 177.0
[M+K]+ 287.10441 160.5
[M+H-H2O]+ 231.13851 150.1
[M+HCOO]- 293.13945 170.0
[M+CH3COO]- 307.15510 196.3
[M+Na-2H]- 269.11592 157.0
[M]+ 248.14070 153.3
[M]- 248.14180 153.3
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

No patent data available for this compound.