CID 22239681

2-hydroxy-1-(4-hydroxyphenyl)-2-methylpropan-1-one

Structural Information

Molecular Formula

C₁₀H₁₂O₃

SMILES

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

InChI

InChI=1S/C10H12O3/c1-10(2,13)9(12)7-3-5-8(11)6-4-7/h3-6,11,13H,1-2H3

InChIKey

XXOPZSXBGGOWNX-UHFFFAOYSA-N

Compound name

2-hydroxy-1-(4-hydroxyphenyl)-2-methylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 293
Patents: 180.07864 Da
Monoisotopic Mass: 1.2
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]+	181.085916	137.2
[M+Na]+	203.067858	144.7
[M-H]-	179.071364	138.6
[M+NH4]+	198.112463	156.0
[M+K]+	219.041798	142.7
[M+H-H2O]+	163.075900	132.6
[M+HCOO]-	225.076841	156.8
[M+CH3COO]-	239.092491	176.6
[M+Na-2H]-	201.053306	142.8
[M]+	180.07809142	136.7
[M]-	180.07918858	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe