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]+ 237.086986 149.5
[M+Na]+ 259.068928 154.1
[M-H]- 235.072434 151.7
[M+NH4]+ 254.113533 165.0
[M+K]+ 275.042868 148.4
[M+H-H2O]+ 219.076970 147.8
[M+HCOO]- 281.077911 171.9
[M+CH3COO]- 295.093561 185.6
[M+Na-2H]- 257.054376 153.2
[M]+ 236.07916142 146.1
[M]- 236.08025858 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.