CID 9570858

Butyric acid, 3-hydroxy-, (5-nitrofurfurylidene)hydrazide

Structural Information

Molecular Formula
C9H11N3O5
SMILES
CC(CC(=O)N/N=C/C1=CC=C(O1)[N+](=O)[O-])O
InChI
InChI=1S/C9H11N3O5/c1-6(13)4-8(14)11-10-5-7-2-3-9(17-7)12(15)16/h2-3,5-6,13H,4H2,1H3,(H,11,14)/b10-5+
InChIKey
YTGUKPMBXFQAFZ-BJMVGYQFSA-N
Compound name
3-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.06987 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.07715 150.9
[M+Na]+ 264.05909 155.7
[M-H]- 240.06259 155.2
[M+NH4]+ 259.10369 166.9
[M+K]+ 280.03303 152.1
[M+H-H2O]+ 224.06713 148.6
[M+HCOO]- 286.06807 177.2
[M+CH3COO]- 300.08372 188.0
[M+Na-2H]- 262.04454 157.0
[M]+ 241.06932 150.7
[M]- 241.07042 150.7
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.