CID 77786

4136-21-4

Structural Information

Molecular Formula

C₉H₁₀O₃

SMILES

COC1=CC=C(C=C1)C(=O)CO

InChI

InChI=1S/C9H10O3/c1-12-8-4-2-7(3-5-8)9(11)6-10/h2-5,10H,6H2,1H3

InChIKey

YTOKFOPFITZGDM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 574
Patents: 166.06299 Da
Monoisotopic Mass: 1.1
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]+	167.07027	132.3
[M+Na]+	189.05221	140.2
[M-H]-	165.05571	134.9
[M+NH4]+	184.09681	152.3
[M+K]+	205.02615	138.9
[M+H-H2O]+	149.06025	126.9
[M+HCOO]-	211.06119	155.3
[M+CH3COO]-	225.07684	175.8
[M+Na-2H]-	187.03766	138.2
[M]+	166.06244	133.7
[M]-	166.06354	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe