CID 89743

4'-acetylacrylanilide

Structural Information

Molecular Formula
C11H11NO2
SMILES
CC(=O)C1=CC=C(C=C1)NC(=O)C=C
InChI
InChI=1S/C11H11NO2/c1-3-11(14)12-10-6-4-9(5-7-10)8(2)13/h3-7H,1H2,2H3,(H,12,14)
InChIKey
DZFGSPKLORYTIN-UHFFFAOYSA-N
Compound name
N-(4-acetylphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

59
Patents

189.07898 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.086256 140.0
[M+Na]+ 212.068198 147.0
[M-H]- 188.071704 143.8
[M+NH4]+ 207.112803 159.3
[M+K]+ 228.042138 144.8
[M+H-H2O]+ 172.076240 134.0
[M+HCOO]- 234.077181 164.0
[M+CH3COO]- 248.092831 185.8
[M+Na-2H]- 210.053646 144.3
[M]+ 189.07843142 139.7
[M]- 189.07952858 139.7
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