CID 10469827

97846-18-9

Structural Information

Molecular Formula

C₁₈H₁₆O₄

SMILES

CC(C)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O

InChI

InChI=1S/C18H16O4/c1-11(2)22-14-7-8-15-17(9-14)21-10-16(18(15)20)12-3-5-13(19)6-4-12/h3-11,19H,1-2H3

InChIKey

DEQMUPGWSXUDKV-UHFFFAOYSA-N

Compound name

3-(4-hydroxyphenyl)-7-propan-2-yloxychromen-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 21
Patents: 296.10486 Da
Monoisotopic Mass: 3.6
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]+	297.112136	166.3
[M+Na]+	319.094078	175.5
[M-H]-	295.097584	174.1
[M+NH4]+	314.138683	180.8
[M+K]+	335.068018	172.8
[M+H-H2O]+	279.102120	158.4
[M+HCOO]-	341.103061	186.5
[M+CH3COO]-	355.118711	202.6
[M+Na-2H]-	317.079526	171.6
[M]+	296.10431142	170.2
[M]-	296.10540858	170.2

Literature stripe

literature stripe

Patent stripe

patents stripe