CID 78117269

1b-hydroxyalantolactone

Structural Information

Molecular Formula
C15H20O3
SMILES
CC1CCC(C2(C1=CC3C(C2)OC(=O)C3=C)C)O
InChI
InChI=1S/C15H20O3/c1-8-4-5-13(16)15(3)7-12-10(6-11(8)15)9(2)14(17)18-12/h6,8,10,12-13,16H,2,4-5,7H2,1,3H3
InChIKey
FRNIMDDQCZHAFA-UHFFFAOYSA-N
Compound name
8-hydroxy-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

5
Patents

248.14125 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 156.5
[M+Na]+ 271.13047 167.0
[M+NH4]+ 266.17507 166.6
[M+K]+ 287.10441 161.1
[M-H]- 247.13397 159.3
[M+Na-2H]- 269.11592 158.1
[M]+ 248.14070 158.8
[M]- 248.14180 158.8
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