CID 9942362

2-[4-(2-methoxyethoxy)phenyl]acetonitrile

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

COCCOC1=CC=C(C=C1)CC#N

InChI

InChI=1S/C11H13NO2/c1-13-8-9-14-11-4-2-10(3-5-11)6-7-12/h2-5H,6,8-9H2,1H3

InChIKey

PIZHWJKZUWJXAS-UHFFFAOYSA-N

Compound name

2-[4-(2-methoxyethoxy)phenyl]acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 191.09464 Da
Monoisotopic Mass: 1.4
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]+	192.10192	141.9
[M+Na]+	214.08386	154.0
[M+NH4]+	209.12846	146.7
[M+K]+	230.05780	144.1
[M-H]-	190.08736	136.7
[M+Na-2H]-	212.06931	146.1
[M]+	191.09409	141.3
[M]-	191.09519	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe