CID 9561450

24186-59-2

Structural Information

Molecular Formula
C5H5N3O3
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=N/N
InChI
InChI=1S/C5H5N3O3/c6-7-3-4-1-2-5(11-4)8(9)10/h1-3H,6H2/b7-3+
InChIKey
RAWYBMUWBNFLAS-XVNBXDOJSA-N
Compound name
(E)-(5-nitrofuran-2-yl)methylidenehydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

155.0331 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04038 126.5
[M+Na]+ 178.02232 134.0
[M-H]- 154.02582 132.2
[M+NH4]+ 173.06692 146.9
[M+K]+ 193.99626 130.6
[M+H-H2O]+ 138.03036 125.0
[M+HCOO]- 200.03130 156.5
[M+CH3COO]- 214.04695 173.6
[M+Na-2H]- 176.00777 136.1
[M]+ 155.03255 125.2
[M]- 155.03365 125.2
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