CID 70133

875-59-2

Structural Information

Molecular Formula

C₉H₁₀O₂

SMILES

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

InChI

InChI=1S/C9H10O2/c1-6-5-8(11)3-4-9(6)7(2)10/h3-5,11H,1-2H3

InChIKey

IAMNVCJECQWBLZ-UHFFFAOYSA-N

Compound name

1-(4-hydroxy-2-methylphenyl)ethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 825
Patents: 150.06808 Da
Monoisotopic Mass: 1.6
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]+	151.075356	128.2
[M+Na]+	173.057298	137.1
[M-H]-	149.060804	131.3
[M+NH4]+	168.101903	149.3
[M+K]+	189.031238	135.3
[M+H-H2O]+	133.065340	123.4
[M+HCOO]-	195.066281	151.0
[M+CH3COO]-	209.081931	174.9
[M+Na-2H]-	171.042746	133.4
[M]+	150.06753142	128.6
[M]-	150.06862858	128.6

Literature stripe

literature stripe

Patent stripe

patents stripe