CID 4039117

2a-hydroxyalantolactone

Structural Information

Molecular Formula
C15H20O3
SMILES
CC1CC(CC2(C1=CC3C(C2)OC(=O)C3=C)C)O
InChI
InChI=1S/C15H20O3/c1-8-4-10(16)6-15(3)7-13-11(5-12(8)15)9(2)14(17)18-13/h5,8,10-11,13,16H,2,4,6-7H2,1,3H3
InChIKey
FZSKLHDEGWSLTB-UHFFFAOYSA-N
Compound name
7-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
1
Annotation Hits

0
References

0
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 155.4
[M+Na]+ 271.13047 163.6
[M-H]- 247.13397 159.9
[M+NH4]+ 266.17507 177.2
[M+K]+ 287.10441 160.2
[M+H-H2O]+ 231.13851 151.3
[M+HCOO]- 293.13945 169.4
[M+CH3COO]- 307.15510 193.9
[M+Na-2H]- 269.11592 157.5
[M]+ 248.14070 152.4
[M]- 248.14180 152.4
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.