CID 4199993

N-(2-methoxy-4-nitrophenyl)propanamide

Structural Information

Molecular Formula
C10H12N2O4
SMILES
CCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC
InChI
InChI=1S/C10H12N2O4/c1-3-10(13)11-8-5-4-7(12(14)15)6-9(8)16-2/h4-6H,3H2,1-2H3,(H,11,13)
InChIKey
CEACJWKXHXRINK-UHFFFAOYSA-N
Compound name
N-(2-methoxy-4-nitrophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.07971 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.08699 146.5
[M+Na]+ 247.06893 158.1
[M+NH4]+ 242.11353 153.3
[M+K]+ 263.04287 155.8
[M-H]- 223.07243 149.1
[M+Na-2H]- 245.05438 151.6
[M]+ 224.07916 148.5
[M]- 224.08026 148.5
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.