CID 82198

N-(4-nitrophenyl)acrylamide

Structural Information

Molecular Formula
C9H8N2O3
SMILES
C=CC(=O)NC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H8N2O3/c1-2-9(12)10-7-3-5-8(6-4-7)11(13)14/h2-6H,1H2,(H,10,12)
InChIKey
DFKKBOJXPCXEGX-UHFFFAOYSA-N
Compound name
N-(4-nitrophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

563
Patents

192.0535 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.060776 137.7
[M+Na]+ 215.042718 144.3
[M-H]- 191.046224 141.6
[M+NH4]+ 210.087323 155.9
[M+K]+ 231.016658 138.3
[M+H-H2O]+ 175.050760 136.1
[M+HCOO]- 237.051701 164.1
[M+CH3COO]- 251.067351 178.5
[M+Na-2H]- 213.028166 145.1
[M]+ 192.05295142 135.4
[M]- 192.05404858 135.4
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