CID 11253965

Kanzonol q

Structural Information

Molecular Formula

C₁₅H₁₆O₄

SMILES

CC1(CCC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)C

InChI

InChI=1S/C15H16O4/c1-15(2)7-6-10-12(19-15)8-11-9(14(10)17-3)4-5-13(16)18-11/h4-5,8H,6-7H2,1-3H3

InChIKey

HJUDWPJIBKIYQS-UHFFFAOYSA-N

Compound name

5-methoxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 260.10486 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]+	261.112136	154.5
[M+Na]+	283.094078	165.1
[M-H]-	259.097584	162.0
[M+NH4]+	278.138683	173.4
[M+K]+	299.068018	164.8
[M+H-H2O]+	243.102120	147.9
[M+HCOO]-	305.103061	172.9
[M+CH3COO]-	319.118711	197.4
[M+Na-2H]-	281.079526	163.8
[M]+	260.10431142	159.4
[M]-	260.10540858	159.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.