CID 6435306

Cinnamamide, n-(2-hydroxyethyl)-4-nitro-, 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]+ 237.086986 150.3
[M+Na]+ 259.068928 155.4
[M-H]- 235.072434 152.3
[M+NH4]+ 254.113533 166.0
[M+K]+ 275.042868 148.6
[M+H-H2O]+ 219.076970 148.2
[M+HCOO]- 281.077911 174.7
[M+CH3COO]- 295.093561 183.4
[M+Na-2H]- 257.054376 156.3
[M]+ 236.07916142 148.0
[M]- 236.08025858 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.