CID 9561033

Nihydrazone

Structural Information

Molecular Formula
C7H7N3O4
SMILES
CC(=O)N/N=C/C1=CC=C(O1)[N+](=O)[O-]
InChI
InChI=1S/C7H7N3O4/c1-5(11)9-8-4-6-2-3-7(14-6)10(12)13/h2-4H,1H3,(H,9,11)/b8-4+
InChIKey
ACFHHZJOAUZSJU-XBXARRHUSA-N
Compound name
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

138
Patents

197.04366 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.05094 138.6
[M+Na]+ 220.03288 145.2
[M-H]- 196.03638 144.6
[M+NH4]+ 215.07748 157.3
[M+K]+ 236.00682 141.9
[M+H-H2O]+ 180.04092 136.6
[M+HCOO]- 242.04186 167.9
[M+CH3COO]- 256.05751 181.6
[M+Na-2H]- 218.01833 147.1
[M]+ 197.04311 138.9
[M]- 197.04421 138.9
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