CID 13723643

N-(2-nitrophenyl)prop-2-enamide

Structural Information

Molecular Formula
C9H8N2O3
SMILES
C=CC(=O)NC1=CC=CC=C1[N+](=O)[O-]
InChI
InChI=1S/C9H8N2O3/c1-2-9(12)10-7-5-3-4-6-8(7)11(13)14/h2-6H,1H2,(H,10,12)
InChIKey
OODUHVPBMHKUKK-UHFFFAOYSA-N
Compound name
N-(2-nitrophenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1406
Patents

192.0535 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.060776 137.7
[M+Na]+ 215.042718 144.3
[M-H]- 191.046224 141.6
[M+NH4]+ 210.087323 155.9
[M+K]+ 231.016658 138.3
[M+H-H2O]+ 175.050760 136.1
[M+HCOO]- 237.051701 164.1
[M+CH3COO]- 251.067351 178.5
[M+Na-2H]- 213.028166 145.1
[M]+ 192.05295142 135.4
[M]- 192.05404858 135.4
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

patents stripe