CID 9578415

1-pyrrolidinecarboxylic acid, (5-nitrofurfurylidene)hydrazide

Structural Information

Molecular Formula

C₁₀H₁₂N₄O₄

SMILES

C1CCN(C1)C(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C10H12N4O4/c15-10(13-5-1-2-6-13)12-11-7-8-3-4-9(18-8)14(16)17/h3-4,7H,1-2,5-6H2,(H,12,15)/b11-7+

InChIKey

MDZHTCKIZRKUGU-YRNVUSSQSA-N

Compound name

N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyrrolidine-1-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 252.08586 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	253.093136	154.0
[M+Na]+	275.075078	157.8
[M-H]-	251.078584	161.2
[M+NH4]+	270.119683	170.2
[M+K]+	291.049018	154.1
[M+H-H2O]+	235.083120	150.5
[M+HCOO]-	297.084061	180.2
[M+CH3COO]-	311.099711	189.5
[M+Na-2H]-	273.060526	159.8
[M]+	252.08531142	151.0
[M]-	252.08640858	151.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.