CID 4281837

2'-cyano-2,2-dimethylpropionanilide

Structural Information

Molecular Formula

C₁₂H₁₄N₂O

SMILES

CC(C)(C)C(=O)NC1=CC=CC=C1C#N

InChI

InChI=1S/C12H14N2O/c1-12(2,3)11(15)14-10-7-5-4-6-9(10)8-13/h4-7H,1-3H3,(H,14,15)

InChIKey

UTEFQTWRANORDC-UHFFFAOYSA-N

Compound name

N-(2-cyanophenyl)-2,2-dimethylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 202.11061 Da
Monoisotopic Mass: 2.0
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]+	203.11789	151.7
[M+Na]+	225.09983	160.4
[M-H]-	201.10333	155.0
[M+NH4]+	220.14443	168.8
[M+K]+	241.07377	157.7
[M+H-H2O]+	185.10787	139.4
[M+HCOO]-	247.10881	170.5
[M+CH3COO]-	261.12446	200.1
[M+Na-2H]-	223.08528	156.3
[M]+	202.11006	146.5
[M]-	202.11116	146.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.