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
2
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]+ 267.108776 157.1
[M+Na]+ 289.090718 159.9
[M-H]- 265.094224 163.7
[M+NH4]+ 284.135323 171.0
[M+K]+ 305.064658 155.7
[M+H-H2O]+ 249.098760 153.0
[M+HCOO]- 311.099701 181.0
[M+CH3COO]- 325.115351 192.7
[M+Na-2H]- 287.076166 163.6
[M]+ 266.10095142 152.6
[M]- 266.10204858 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.