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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.09314 154.0
[M+Na]+ 275.07508 157.8
[M-H]- 251.07858 161.2
[M+NH4]+ 270.11968 170.2
[M+K]+ 291.04902 154.1
[M+H-H2O]+ 235.08312 150.5
[M+HCOO]- 297.08406 180.2
[M+CH3COO]- 311.09971 189.5
[M+Na-2H]- 273.06053 159.8
[M]+ 252.08531 151.0
[M]- 252.08641 151.0
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.