CID 9578412

14052-76-7

Structural Information

Molecular Formula
C11H14N4O4
SMILES
C1CCN(CC1)C(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C11H14N4O4/c16-11(14-6-2-1-3-7-14)13-12-8-9-4-5-10(19-9)15(17)18/h4-5,8H,1-3,6-7H2,(H,13,16)/b12-8+
InChIKey
VKZWXIOFWQSPIL-XYOKQWHBSA-N
Compound name
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]piperidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.1015 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10878 157.1
[M+Na]+ 289.09072 159.9
[M-H]- 265.09422 163.7
[M+NH4]+ 284.13532 171.0
[M+K]+ 305.06466 155.7
[M+H-H2O]+ 249.09876 153.0
[M+HCOO]- 311.09970 181.0
[M+CH3COO]- 325.11535 192.7
[M+Na-2H]- 287.07617 163.6
[M]+ 266.10095 152.6
[M]- 266.10205 152.6
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

No patent data available for this compound.