CID 573861

2-cyano-n-(2-phenoxyethyl)acetamide

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

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

InChI

InChI=1S/C11H12N2O2/c12-7-6-11(14)13-8-9-15-10-4-2-1-3-5-10/h1-5H,6,8-9H2,(H,13,14)

InChIKey

LVYLVSVOBJBWGV-UHFFFAOYSA-N

Compound name

2-cyano-N-(2-phenoxyethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 204.08987 Da
Monoisotopic Mass: 1.1
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]+	205.097146	146.6
[M+Na]+	227.079088	154.4
[M-H]-	203.082594	149.2
[M+NH4]+	222.123693	163.0
[M+K]+	243.053028	151.8
[M+H-H2O]+	187.087130	133.3
[M+HCOO]-	249.088071	167.3
[M+CH3COO]-	263.103721	198.5
[M+Na-2H]-	225.064536	152.0
[M]+	204.08932142	142.5
[M]-	204.09041858	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.