CID 578110

Methyl 2-hydroxy-2-phenylpropanoate

Structural Information

Molecular Formula

C₁₀H₁₂O₃

SMILES

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

InChI

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

InChIKey

CDMFKOGXDUTORS-UHFFFAOYSA-N

Compound name

methyl 2-hydroxy-2-phenylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 230
Patents: 180.07864 Da
Monoisotopic Mass: 1.3
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	137.5
[M+Na]+	203.067858	144.6
[M-H]-	179.071364	140.0
[M+NH4]+	198.112463	156.9
[M+K]+	219.041798	143.5
[M+H-H2O]+	163.075900	132.4
[M+HCOO]-	225.076841	158.7
[M+CH3COO]-	239.092491	177.3
[M+Na-2H]-	201.053306	144.3
[M]+	180.07809142	138.4
[M]-	180.07918858	138.4

Literature stripe

literature stripe

Patent stripe

patents stripe