CID 3738367

1205-88-5

Structural Information

Molecular Formula
C8H9N3O3
SMILES
C1=CC(=CC=C1NC(=O)CN)[N+](=O)[O-]
InChI
InChI=1S/C8H9N3O3/c9-5-8(12)10-6-1-3-7(4-2-6)11(13)14/h1-4H,5,9H2,(H,10,12)
InChIKey
VZZMNSJSZXVCCW-UHFFFAOYSA-N
Compound name
2-amino-N-(4-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

175
Patents

195.06439 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.071666 137.0
[M+Na]+ 218.053608 142.7
[M-H]- 194.057114 140.3
[M+NH4]+ 213.098213 154.5
[M+K]+ 234.027548 137.2
[M+H-H2O]+ 178.061650 135.0
[M+HCOO]- 240.062591 163.8
[M+CH3COO]- 254.078241 180.7
[M+Na-2H]- 216.039056 144.4
[M]+ 195.06384142 133.2
[M]- 195.06493858 133.2
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