CID 311651

35559-10-5

Structural Information

Molecular Formula
C9H9N3O3
SMILES
CC(=O)NN=CC1=CC(=CC=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H9N3O3/c1-7(13)11-10-6-8-3-2-4-9(5-8)12(14)15/h2-6H,1H3,(H,11,13)
InChIKey
YIMVRFAFPGMLJI-UHFFFAOYSA-N
Compound name
N-[(3-nitrophenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.06439 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07167 142.2
[M+Na]+ 230.05361 153.3
[M+NH4]+ 225.09821 149.2
[M+K]+ 246.02755 150.6
[M-H]- 206.05711 145.8
[M+Na-2H]- 228.03906 148.3
[M]+ 207.06384 144.3
[M]- 207.06494 144.3
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.