CID 347921

N-methyl-4-nitrobenzamide

Structural Information

Molecular Formula
C8H8N2O3
SMILES
CNC(=O)C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C8H8N2O3/c1-9-8(11)6-2-4-7(5-3-6)10(12)13/h2-5H,1H3,(H,9,11)
InChIKey
UZWAQQSVGQEZRY-UHFFFAOYSA-N
Compound name
N-methyl-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

196
Patents

180.0535 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06078 134.0
[M+Na]+ 203.04272 140.7
[M-H]- 179.04622 138.0
[M+NH4]+ 198.08732 152.8
[M+K]+ 219.01666 135.6
[M+H-H2O]+ 163.05076 132.6
[M+HCOO]- 225.05170 160.5
[M+CH3COO]- 239.06735 176.5
[M+Na-2H]- 201.02817 142.0
[M]+ 180.05295 132.0
[M]- 180.05405 132.0
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