CID 266022

2-acetamido-1-hydroxy-1-(4-nitrophenyl)-2-propene

Structural Information

Molecular Formula
C11H12N2O4
SMILES
CC(=O)NC(=C)C(C1=CC=C(C=C1)[N+](=O)[O-])O
InChI
InChI=1S/C11H12N2O4/c1-7(12-8(2)14)11(15)9-3-5-10(6-4-9)13(16)17/h3-6,11,15H,1H2,2H3,(H,12,14)
InChIKey
XIFAWEQWBWGUHX-UHFFFAOYSA-N
Compound name
N-[3-hydroxy-3-(4-nitrophenyl)prop-1-en-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.07971 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.08699 149.5
[M+Na]+ 259.06893 154.1
[M-H]- 235.07243 151.7
[M+NH4]+ 254.11353 165.0
[M+K]+ 275.04287 148.4
[M+H-H2O]+ 219.07697 147.8
[M+HCOO]- 281.07791 171.9
[M+CH3COO]- 295.09356 185.6
[M+Na-2H]- 257.05438 153.2
[M]+ 236.07916 146.1
[M]- 236.08026 146.1
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.