CID 10541193

178306-47-3

Structural Information

Molecular Formula

C₁₇H₁₈O₄

SMILES

COC(=O)C(C(C1=CC=CC=C1)(C2=CC=CC=C2)OC)O

InChI

InChI=1S/C17H18O4/c1-20-16(19)15(18)17(21-2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15,18H,1-2H3

InChIKey

BEPLSLADXOJCBY-UHFFFAOYSA-N

Compound name

methyl 2-hydroxy-3-methoxy-3,3-diphenylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 105
Patents: 286.1205 Da
Monoisotopic Mass: 2.4
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]+	287.127776	166.0
[M+Na]+	309.109718	170.7
[M-H]-	285.113224	170.9
[M+NH4]+	304.154323	180.2
[M+K]+	325.083658	168.6
[M+H-H2O]+	269.117760	158.5
[M+HCOO]-	331.118701	185.3
[M+CH3COO]-	345.134351	197.2
[M+Na-2H]-	307.095166	170.5
[M]+	286.11995142	167.5
[M]-	286.12104858	167.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe