CID 4158483

1-(2-isopropoxyphenyl)ethanone

Structural Information

Molecular Formula

C₁₁H₁₄O₂

SMILES

CC(C)OC1=CC=CC=C1C(=O)C

InChI

InChI=1S/C11H14O2/c1-8(2)13-11-7-5-4-6-10(11)9(3)12/h4-8H,1-3H3

InChIKey

YFKLYHKKDVPRAI-UHFFFAOYSA-N

Compound name

1-(2-propan-2-yloxyphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
Patents: 178.09938 Da
Monoisotopic Mass: 2.6
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]+	179.106656	137.7
[M+Na]+	201.088598	145.0
[M-H]-	177.092104	141.6
[M+NH4]+	196.133203	158.0
[M+K]+	217.062538	144.1
[M+H-H2O]+	161.096640	132.1
[M+HCOO]-	223.097581	160.4
[M+CH3COO]-	237.113231	183.4
[M+Na-2H]-	199.074046	141.8
[M]+	178.09883142	139.7
[M]-	178.09992858	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe