CID 3102941

331275-28-6

Structural Information

Molecular Formula

C₁₈H₁₈O₂

SMILES

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

InChI

InChI=1S/C18H18O2/c1-13(2)14-8-10-16(11-9-14)18(20)12-17(19)15-6-4-3-5-7-15/h3-13,19H,1-2H3

InChIKey

XXXPDVBEABWMIF-UHFFFAOYSA-N

Compound name

3-hydroxy-3-phenyl-1-(4-propan-2-ylphenyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 266.13068 Da
Monoisotopic Mass: 4.8
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]+	267.137956	163.0
[M+Na]+	289.119898	168.1
[M-H]-	265.123404	167.9
[M+NH4]+	284.164503	178.2
[M+K]+	305.093838	163.8
[M+H-H2O]+	249.127940	155.7
[M+HCOO]-	311.128881	182.4
[M+CH3COO]-	325.144531	197.0
[M+Na-2H]-	287.105346	164.1
[M]+	266.13013142	161.5
[M]-	266.13122858	161.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe