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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 148.9
[M+Na]+ 225.09983 159.5
[M+NH4]+ 220.14443 153.1
[M+K]+ 241.07377 150.9
[M-H]- 201.10333 143.3
[M+Na-2H]- 223.08528 152.3
[M]+ 202.11006 147.9
[M]- 202.11116 147.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.