CID 72796416

Heliannuol e

Structural Information

Molecular Formula
C15H20O3
SMILES
CC1=CC2=C(C=C1O)C(CC(O2)C(C)(C)O)C=C
InChI
InChI=1S/C15H20O3/c1-5-10-7-14(15(3,4)17)18-13-6-9(2)12(16)8-11(10)13/h5-6,8,10,14,16-17H,1,7H2,2-4H3
InChIKey
USPLMZMYYNDHOT-UHFFFAOYSA-N
Compound name
4-ethenyl-2-(2-hydroxypropan-2-yl)-7-methyl-3,4-dihydro-2H-chromen-6-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

248.14125 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 156.8
[M+Na]+ 271.13047 168.8
[M+NH4]+ 266.17507 164.3
[M+K]+ 287.10441 163.7
[M-H]- 247.13397 159.0
[M+Na-2H]- 269.11592 159.8
[M]+ 248.14070 159.1
[M]- 248.14180 159.1
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.