CID 13723647

90842-07-2

Structural Information

Molecular Formula
C10H8N2O
SMILES
C=CC(=O)NC1=CC=C(C=C1)C#N
InChI
InChI=1S/C10H8N2O/c1-2-10(13)12-9-5-3-8(7-11)4-6-9/h2-6H,1H2,(H,12,13)
InChIKey
BVVAIXVPRJKYMO-UHFFFAOYSA-N
Compound name
N-(4-cyanophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

50
Patents

172.06366 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.07094 140.2
[M+Na]+ 195.05288 149.6
[M-H]- 171.05638 143.5
[M+NH4]+ 190.09748 158.1
[M+K]+ 211.02682 146.2
[M+H-H2O]+ 155.06092 127.7
[M+HCOO]- 217.06186 161.2
[M+CH3COO]- 231.07751 194.1
[M+Na-2H]- 193.03833 145.4
[M]+ 172.06311 134.2
[M]- 172.06421 134.2
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