CID 10855817

7-hydroxychroman-4-one

Structural Information

Molecular Formula

C₉H₈O₃

SMILES

C1COC2=C(C1=O)C=CC(=C2)O

InChI

InChI=1S/C9H8O3/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-2,5,10H,3-4H2

InChIKey

XJWBVGDAFGVJEG-UHFFFAOYSA-N

Compound name

7-hydroxy-2,3-dihydrochromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 251
Patents: 164.04735 Da
Monoisotopic Mass: 1.0
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]+	165.05463	129.8
[M+Na]+	187.03657	143.3
[M+NH4]+	182.08117	139.0
[M+K]+	203.01051	137.5
[M-H]-	163.04007	133.3
[M+Na-2H]-	185.02202	135.5
[M]+	164.04680	132.7
[M]-	164.04790	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe