CID 20466424

3,3-dimethoxy-2-phenylpropanenitrile

Structural Information

Molecular Formula

C₁₁H₁₃NO₂

SMILES

COC(C(C#N)C1=CC=CC=C1)OC

InChI

InChI=1S/C11H13NO2/c1-13-11(14-2)10(8-12)9-6-4-3-5-7-9/h3-7,10-11H,1-2H3

InChIKey

OCHZXVNDZYVOHB-UHFFFAOYSA-N

Compound name

3,3-dimethoxy-2-phenylpropanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 191.09464 Da
Monoisotopic Mass: 1.5
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	142.8
[M+Na]+	214.08386	154.0
[M+NH4]+	209.12846	147.4
[M+K]+	230.05780	145.3
[M-H]-	190.08736	137.2
[M+Na-2H]-	212.06931	146.6
[M]+	191.09409	141.9
[M]-	191.09519	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe