CID 251992

N-(2-cyanophenyl)acetamide

Structural Information

Molecular Formula
C9H8N2O
SMILES
CC(=O)NC1=CC=CC=C1C#N
InChI
InChI=1S/C9H8N2O/c1-7(12)11-9-5-3-2-4-8(9)6-10/h2-5H,1H3,(H,11,12)
InChIKey
RTGPZUVDPPNGNR-UHFFFAOYSA-N
Compound name
N-(2-cyanophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

105
Patents

160.06366 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.070936 136.2
[M+Na]+ 183.052878 145.7
[M-H]- 159.056384 139.6
[M+NH4]+ 178.097483 154.6
[M+K]+ 199.026818 143.1
[M+H-H2O]+ 143.060920 123.8
[M+HCOO]- 205.061861 157.3
[M+CH3COO]- 219.077511 192.2
[M+Na-2H]- 181.038326 141.9
[M]+ 160.06311142 130.6
[M]- 160.06420858 130.6
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