CID 725466

2-cyano-3-phenylacrylamide

Structural Information

Molecular Formula
C10H8N2O
SMILES
C1=CC=C(C=C1)/C=C(\C#N)/C(=O)N
InChI
InChI=1S/C10H8N2O/c11-7-9(10(12)13)6-8-4-2-1-3-5-8/h1-6H,(H2,12,13)/b9-6+
InChIKey
SKGACPGKMWWAIG-RMKNXTFCSA-N
Compound name
(E)-2-cyano-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

41
Patents

172.06366 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.07094 142.9
[M+Na]+ 195.05288 151.3
[M-H]- 171.05638 145.4
[M+NH4]+ 190.09748 160.2
[M+K]+ 211.02682 147.9
[M+H-H2O]+ 155.06092 130.2
[M+HCOO]- 217.06186 162.4
[M+CH3COO]- 231.07751 193.3
[M+Na-2H]- 193.03833 146.5
[M]+ 172.06311 135.1
[M]- 172.06421 135.1
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