CID 852539

53207-58-2

Structural Information

Molecular Formula

C₁₁H₁₄OS

SMILES

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

InChI

InChI=1S/C11H14OS/c1-8(2)11(12)9-4-6-10(13-3)7-5-9/h4-8H,1-3H3

InChIKey

VYUGBDJOQZSDQV-UHFFFAOYSA-N

Compound name

2-methyl-1-(4-methylsulfanylphenyl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 253
Patents: 194.07654 Da
Monoisotopic Mass: 3.2
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]+	195.08382	142.6
[M+Na]+	217.06576	154.8
[M+NH4]+	212.11036	151.8
[M+K]+	233.03970	146.5
[M-H]-	193.06926	145.1
[M+Na-2H]-	215.05121	148.5
[M]+	194.07599	145.6
[M]-	194.07709	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe