CID 15685

N-(4-ethoxy-3-nitrophenyl)acetamide

Structural Information

Molecular Formula
C10H12N2O4
SMILES
CCOC1=C(C=C(C=C1)NC(=O)C)[N+](=O)[O-]
InChI
InChI=1S/C10H12N2O4/c1-3-16-10-5-4-8(11-7(2)13)6-9(10)12(14)15/h4-6H,3H2,1-2H3,(H,11,13)
InChIKey
UOIPFPSGIAWJAQ-UHFFFAOYSA-N
Compound name
N-(4-ethoxy-3-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9
References

7
Patents

224.07971 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.086986 146.1
[M+Na]+ 247.068928 152.7
[M-H]- 223.072434 150.1
[M+NH4]+ 242.113533 163.4
[M+K]+ 263.042868 147.7
[M+H-H2O]+ 207.076970 144.3
[M+HCOO]- 269.077911 172.2
[M+CH3COO]- 283.093561 185.8
[M+Na-2H]- 245.054376 152.6
[M]+ 224.07916142 146.6
[M]- 224.08025858 146.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe