CID 345125

2-acetamido-5-nitropyridine

Structural Information

Molecular Formula
C7H7N3O3
SMILES
CC(=O)NC1=NC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C7H7N3O3/c1-5(11)9-7-3-2-6(4-8-7)10(12)13/h2-4H,1H3,(H,8,9,11)
InChIKey
XKAASKOXADTLIG-UHFFFAOYSA-N
Compound name
N-(5-nitropyridin-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

81
Patents

181.04874 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.05602 133.6
[M+Na]+ 204.03796 145.6
[M+NH4]+ 199.08256 140.6
[M+K]+ 220.01190 143.7
[M-H]- 180.04146 136.0
[M+Na-2H]- 202.02341 139.8
[M]+ 181.04819 135.6
[M]- 181.04929 135.6
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