CID 320028

N-acetyl-n-(2-methyl-5-nitrophenyl)acetamide

Structural Information

Molecular Formula
C11H12N2O4
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])N(C(=O)C)C(=O)C
InChI
InChI=1S/C11H12N2O4/c1-7-4-5-10(13(16)17)6-11(7)12(8(2)14)9(3)15/h4-6H,1-3H3
InChIKey
ZBZUKDFISYFGJU-UHFFFAOYSA-N
Compound name
N-acetyl-N-(2-methyl-5-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.07971 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.08699 148.8
[M+Na]+ 259.06893 155.3
[M-H]- 235.07243 154.2
[M+NH4]+ 254.11353 166.1
[M+K]+ 275.04287 151.4
[M+H-H2O]+ 219.07697 147.0
[M+HCOO]- 281.07791 174.2
[M+CH3COO]- 295.09356 191.5
[M+Na-2H]- 257.05438 152.9
[M]+ 236.07916 149.4
[M]- 236.08026 149.4
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

No patent data available for this compound.