CID 6435306

N-(2-hydroxyethyl)-4-nitrocinnamamide hydrate

Structural Information

Molecular Formula
C11H12N2O4
SMILES
C1=CC(=CC=C1/C=C/C(=O)NCCO)[N+](=O)[O-]
InChI
InChI=1S/C11H12N2O4/c14-8-7-12-11(15)6-3-9-1-4-10(5-2-9)13(16)17/h1-6,14H,7-8H2,(H,12,15)/b6-3+
InChIKey
UUKLRRWTNBUSIX-ZZXKWVIFSA-N
Compound name
(E)-N-(2-hydroxyethyl)-3-(4-nitrophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.07971 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.08699 150.6
[M+Na]+ 259.06893 161.1
[M+NH4]+ 254.11353 156.5
[M+K]+ 275.04287 158.6
[M-H]- 235.07243 152.3
[M+Na-2H]- 257.05438 154.9
[M]+ 236.07916 152.0
[M]- 236.08026 152.0
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.