CID 11340

577-16-2

Structural Information

Molecular Formula

C₉H₁₀O

SMILES

CC1=CC=CC=C1C(=O)C

InChI

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

InChIKey

YXWWHNCQZBVZPV-UHFFFAOYSA-N

Compound name

1-(2-methylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 4
References: 6396
Patents: 134.07317 Da
Monoisotopic Mass: 2.0
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]+	135.080446	124.8
[M+Na]+	157.062388	133.2
[M-H]-	133.065894	129.0
[M+NH4]+	152.106993	147.0
[M+K]+	173.036328	131.9
[M+H-H2O]+	117.070430	119.8
[M+HCOO]-	179.071371	148.9
[M+CH3COO]-	193.087021	174.5
[M+Na-2H]-	155.047836	131.3
[M]+	134.07262142	125.3
[M]-	134.07371858	125.3

Literature stripe

literature stripe

Patent stripe

patents stripe