CID 9570870

Butyric acid, 2-ethyl-4-hydroxy-, (5-nitrofurfurylidene)hydrazide

Structural Information

Molecular Formula
C11H15N3O5
SMILES
CCC(CCO)C(=O)N/N=C/C1=CC=C(O1)[N+](=O)[O-]
InChI
InChI=1S/C11H15N3O5/c1-2-8(5-6-15)11(16)13-12-7-9-3-4-10(19-9)14(17)18/h3-4,7-8,15H,2,5-6H2,1H3,(H,13,16)/b12-7+
InChIKey
KVMJVWQQKSJBBE-KPKJPENVSA-N
Compound name
2-ethyl-4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.10117 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.108446 160.6
[M+Na]+ 292.090388 164.4
[M-H]- 268.093894 164.5
[M+NH4]+ 287.134993 175.4
[M+K]+ 308.064328 160.5
[M+H-H2O]+ 252.098430 157.9
[M+HCOO]- 314.099371 186.2
[M+CH3COO]- 328.115021 194.1
[M+Na-2H]- 290.075836 165.6
[M]+ 269.10062142 161.1
[M]- 269.10171858 161.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.