CID 11455

3'-methylacetophenone

Structural Information

Molecular Formula

C₉H₁₀O

SMILES

CC1=CC(=CC=C1)C(=O)C

InChI

InChI=1S/C9H10O/c1-7-4-3-5-9(6-7)8(2)10/h3-6H,1-2H3

InChIKey

FSPSELPMWGWDRY-UHFFFAOYSA-N

Compound name

1-(3-methylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 10688
Patents: 134.07317 Da
Monoisotopic Mass: 2.3
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]+	135.08045	126.3
[M+Na]+	157.06239	140.0
[M+NH4]+	152.10699	135.7
[M+K]+	173.03633	133.4
[M-H]-	133.06589	129.0
[M+Na-2H]-	155.04784	134.1
[M]+	134.07262	129.1
[M]-	134.07372	129.1

Literature stripe

literature stripe

Patent stripe

patents stripe