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

1393
Patents

192.0535 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06078 137.7
[M+Na]+ 215.04272 144.3
[M-H]- 191.04622 141.6
[M+NH4]+ 210.08732 155.9
[M+K]+ 231.01666 138.3
[M+H-H2O]+ 175.05076 136.1
[M+HCOO]- 237.05170 164.1
[M+CH3COO]- 251.06735 178.5
[M+Na-2H]- 213.02817 145.1
[M]+ 192.05295 135.4
[M]- 192.05405 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