CID 20406123

2-(2,6-dimethoxyphenoxy)acetonitrile

Structural Information

Molecular Formula

C₁₀H₁₁NO₃

SMILES

COC1=C(C(=CC=C1)OC)OCC#N

InChI

InChI=1S/C10H11NO3/c1-12-8-4-3-5-9(13-2)10(8)14-7-6-11/h3-5H,7H2,1-2H3

InChIKey

QDAOLZRIBDCHRR-UHFFFAOYSA-N

Compound name

2-(2,6-dimethoxyphenoxy)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 193.0739 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]+	194.08118	139.2
[M+Na]+	216.06312	151.4
[M+NH4]+	211.10772	143.7
[M+K]+	232.03706	142.5
[M-H]-	192.06662	133.6
[M+Na-2H]-	214.04857	143.2
[M]+	193.07335	138.5
[M]-	193.07445	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe