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

1
Annotation Hits: 1
References: 0
Patents: 248.14125 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	249.148526	157.0
[M+Na]+	271.130468	164.8
[M-H]-	247.133974	159.7
[M+NH4]+	266.175073	173.5
[M+K]+	287.104408	162.0
[M+H-H2O]+	231.138510	152.0
[M+HCOO]-	293.139451	171.8
[M+CH3COO]-	307.155101	193.1
[M+Na-2H]-	269.115916	161.5
[M]+	248.14070142	156.7
[M]-	248.14179858	156.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.