CID 37256

N-(4-cyanophenyl)acetamide

Structural Information

Molecular Formula
C9H8N2O
SMILES
CC(=O)NC1=CC=C(C=C1)C#N
InChI
InChI=1S/C9H8N2O/c1-7(12)11-9-4-2-8(6-10)3-5-9/h2-5H,1H3,(H,11,12)
InChIKey
UFKRTEWFEYWIHD-UHFFFAOYSA-N
Compound name
N-(4-cyanophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

335
Patents

160.06366 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07094 136.7
[M+Na]+ 183.05288 148.1
[M+NH4]+ 178.09748 141.4
[M+K]+ 199.02682 139.0
[M-H]- 159.05638 131.7
[M+Na-2H]- 181.03833 140.9
[M]+ 160.06311 135.9
[M]- 160.06421 135.9
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

patents stripe