CID 81338

6921-64-8

Structural Information

Molecular Formula

C₉H₁₀O₂

SMILES

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

InChI

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

InChIKey

LYKDOWJROLHYOT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 361
Patents: 150.06808 Da
Monoisotopic Mass: 2.2
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]+	151.07536	128.2
[M+Na]+	173.05730	137.1
[M-H]-	149.06080	131.3
[M+NH4]+	168.10190	149.3
[M+K]+	189.03124	135.3
[M+H-H2O]+	133.06534	123.4
[M+HCOO]-	195.06628	151.0
[M+CH3COO]-	209.08193	174.9
[M+Na-2H]-	171.04275	133.4
[M]+	150.06753	128.6
[M]-	150.06863	128.6

Literature stripe

literature stripe

Patent stripe

patents stripe