CID 4195634

2-cyano-n-[2-(4-methoxyphenyl)ethyl]acetamide

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₂

SMILES

COC1=CC=C(C=C1)CCNC(=O)CC#N

InChI

InChI=1S/C12H14N2O2/c1-16-11-4-2-10(3-5-11)7-9-14-12(15)6-8-13/h2-5H,6-7,9H2,1H3,(H,14,15)

InChIKey

AIXFPHMFCMZNNO-UHFFFAOYSA-N

Compound name

2-cyano-N-[2-(4-methoxyphenyl)ethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 218.10553 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]+	219.11281	151.5
[M+Na]+	241.09475	161.9
[M+NH4]+	236.13935	155.3
[M+K]+	257.06869	152.7
[M-H]-	217.09825	146.0
[M+Na-2H]-	239.08020	154.5
[M]+	218.10498	150.4
[M]-	218.10608	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe