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 150.3
[M+Na]+ 259.06893 155.4
[M-H]- 235.07243 152.3
[M+NH4]+ 254.11353 166.0
[M+K]+ 275.04287 148.6
[M+H-H2O]+ 219.07697 148.2
[M+HCOO]- 281.07791 174.7
[M+CH3COO]- 295.09356 183.4
[M+Na-2H]- 257.05438 156.3
[M]+ 236.07916 148.0
[M]- 236.08026 148.0
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.