CID 4563031

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

Structural Information

Molecular Formula
C8H9N3O3
SMILES
CC(=O)NC1=CC(=C(C=C1)N)[N+](=O)[O-]
InChI
InChI=1S/C8H9N3O3/c1-5(12)10-6-2-3-7(9)8(4-6)11(13)14/h2-4H,9H2,1H3,(H,10,12)
InChIKey
MGVDUDAXURKVCE-UHFFFAOYSA-N
Compound name
N-(4-amino-3-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

195.06439 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.071666 136.9
[M+Na]+ 218.053608 143.6
[M-H]- 194.057114 140.7
[M+NH4]+ 213.098213 154.7
[M+K]+ 234.027548 138.2
[M+H-H2O]+ 178.061650 135.2
[M+HCOO]- 240.062591 163.8
[M+CH3COO]- 254.078241 181.8
[M+Na-2H]- 216.039056 143.6
[M]+ 195.06384142 133.5
[M]- 195.06493858 133.5
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.