CID 3788216

2-cyano-n-(3,4-dimethoxyphenyl)acetamide

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₃

SMILES

COC1=C(C=C(C=C1)NC(=O)CC#N)OC

InChI

InChI=1S/C11H12N2O3/c1-15-9-4-3-8(7-10(9)16-2)13-11(14)5-6-12/h3-4,7H,5H2,1-2H3,(H,13,14)

InChIKey

FQSFOQOBZIALFQ-UHFFFAOYSA-N

Compound name

2-cyano-N-(3,4-dimethoxyphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 0
Patents: 220.0848 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]+	221.092076	148.0
[M+Na]+	243.074018	157.2
[M-H]-	219.077524	151.3
[M+NH4]+	238.118623	164.4
[M+K]+	259.047958	155.5
[M+H-H2O]+	203.082060	135.1
[M+HCOO]-	265.083001	168.9
[M+CH3COO]-	279.098651	202.5
[M+Na-2H]-	241.059466	152.3
[M]+	220.08425142	145.9
[M]-	220.08534858	145.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.