CID 725466

Benzalcyanoacetamide

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
2
Annotation Hits

6
References

114
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.