CID 15206077

103931-20-0

Structural Information

Molecular Formula

C₁₂H₁₄O₂

SMILES

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

InChI

InChI=1S/C12H14O2/c1-8(2)12(14)11-6-4-10(5-7-11)9(3)13/h4-8H,1-3H3

InChIKey

OKDVJTURSCLUBA-UHFFFAOYSA-N

Compound name

1-(4-acetylphenyl)-2-methylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 42
Patents: 190.09938 Da
Monoisotopic Mass: 2.4
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]+	191.106656	140.6
[M+Na]+	213.088598	147.5
[M-H]-	189.092104	144.3
[M+NH4]+	208.133203	160.2
[M+K]+	229.062538	146.2
[M+H-H2O]+	173.096640	135.0
[M+HCOO]-	235.097581	162.1
[M+CH3COO]-	249.113231	186.4
[M+Na-2H]-	211.074046	143.0
[M]+	190.09883142	141.6
[M]-	190.09992858	141.6

Literature stripe

literature stripe

Patent stripe

patents stripe