CID 110190

68400-52-2

Structural Information

Molecular Formula

C₁₃H₁₈O₂

SMILES

CCCC1=CC=C(C=C1)C(=O)C(C)(C)O

InChI

InChI=1S/C13H18O2/c1-4-5-10-6-8-11(9-7-10)12(14)13(2,3)15/h6-9,15H,4-5H2,1-3H3

InChIKey

VOGSBOVWPQXXAH-UHFFFAOYSA-N

Compound name

2-hydroxy-2-methyl-1-(4-propylphenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 607
Patents: 206.13068 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]+	207.13796	148.0
[M+Na]+	229.11990	159.5
[M+NH4]+	224.16450	155.5
[M+K]+	245.09384	154.0
[M-H]-	205.12340	148.8
[M+Na-2H]-	227.10535	153.5
[M]+	206.13013	149.8
[M]-	206.13123	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe