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]+ 237.086986 148.8
[M+Na]+ 259.068928 155.3
[M-H]- 235.072434 154.2
[M+NH4]+ 254.113533 166.1
[M+K]+ 275.042868 151.4
[M+H-H2O]+ 219.076970 147.0
[M+HCOO]- 281.077911 174.2
[M+CH3COO]- 295.093561 191.5
[M+Na-2H]- 257.054376 152.9
[M]+ 236.07916142 149.4
[M]- 236.08025858 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.