CID 11480784

1634-36-2

Structural Information

Molecular Formula

C₁₁H₁₄O₂

SMILES

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

InChI

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

InChIKey

SGDUYSKZFFCUOU-UHFFFAOYSA-N

Compound name

1-(2-hydroxy-5-propan-2-ylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 178.09938 Da
Monoisotopic Mass: 2.9
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]+	179.10666	137.5
[M+Na]+	201.08860	145.3
[M-H]-	177.09210	140.3
[M+NH4]+	196.13320	157.4
[M+K]+	217.06254	143.5
[M+H-H2O]+	161.09664	132.4
[M+HCOO]-	223.09758	158.6
[M+CH3COO]-	237.11323	181.9
[M+Na-2H]-	199.07405	140.4
[M]+	178.09883	138.0
[M]-	178.09993	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe