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 157.0
[M+Na]+ 271.13047 164.8
[M-H]- 247.13397 159.7
[M+NH4]+ 266.17507 173.5
[M+K]+ 287.10441 162.0
[M+H-H2O]+ 231.13851 152.0
[M+HCOO]- 293.13945 171.8
[M+CH3COO]- 307.15510 193.1
[M+Na-2H]- 269.11592 161.5
[M]+ 248.14070 156.7
[M]- 248.14180 156.7
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.