CID 21935905

605680-37-3

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

CC(C)(C(=O)O)OC1=CC=CC(=C1)C#N

InChI

InChI=1S/C11H11NO3/c1-11(2,10(13)14)15-9-5-3-4-8(6-9)7-12/h3-6H,1-2H3,(H,13,14)

InChIKey

AVHGDSZXILUJGC-UHFFFAOYSA-N

Compound name

2-(3-cyanophenoxy)-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 205.0739 Da
Monoisotopic Mass: 1.7
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]+	206.08118	144.6
[M+Na]+	228.06312	155.1
[M+NH4]+	223.10772	148.0
[M+K]+	244.03706	147.8
[M-H]-	204.06662	137.5
[M+Na-2H]-	226.04857	147.4
[M]+	205.07335	143.1
[M]-	205.07445	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe