CID 14133589

21316-80-3

Structural Information

Molecular Formula

C₁₉H₂₂O₃

SMILES

CC(=CCC1=C(C=C2C(=C1)C=C(C(=O)O2)C(C)(C)C=C)O)C

InChI

InChI=1S/C19H22O3/c1-6-19(4,5)15-10-14-9-13(8-7-12(2)3)16(20)11-17(14)22-18(15)21/h6-7,9-11,20H,1,8H2,2-5H3

InChIKey

HEPYYVMIJBDNIM-UHFFFAOYSA-N

Compound name

7-hydroxy-3-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)chromen-2-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 9
Patents: 298.1569 Da
Monoisotopic Mass: 5.4
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]+	299.164176	169.8
[M+Na]+	321.146118	178.6
[M-H]-	297.149624	174.1
[M+NH4]+	316.190723	185.0
[M+K]+	337.120058	174.8
[M+H-H2O]+	281.154160	163.9
[M+HCOO]-	343.155101	187.1
[M+CH3COO]-	357.170751	205.6
[M+Na-2H]-	319.131566	173.3
[M]+	298.15635142	173.5
[M]-	298.15744858	173.5

Literature stripe

literature stripe

Patent stripe

patents stripe