CID 5484716

N-(2-amino-4-nitrophenyl)acetamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

195.06439 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07167 136.9
[M+Na]+ 218.05361 143.6
[M-H]- 194.05711 140.7
[M+NH4]+ 213.09821 154.7
[M+K]+ 234.02755 138.2
[M+H-H2O]+ 178.06165 135.2
[M+HCOO]- 240.06259 163.8
[M+CH3COO]- 254.07824 181.8
[M+Na-2H]- 216.03906 143.6
[M]+ 195.06384 133.5
[M]- 195.06494 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

patents stripe