CID 24847632

Valeric acid, 4-hydroxy-, (5-nitrofurfurylidene)hydrazide

Structural Information

Molecular Formula
C10H13N3O5
SMILES
CC(CCC(=O)N/N=C/C1=CC=C(O1)[N+](=O)[O-])O
InChI
InChI=1S/C10H13N3O5/c1-7(14)2-4-9(15)12-11-6-8-3-5-10(18-8)13(16)17/h3,5-7,14H,2,4H2,1H3,(H,12,15)/b11-6+
InChIKey
WRTPMZBNZKNDJL-IZZDOVSWSA-N
Compound name
4-hydroxy-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.08553 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.092806 155.8
[M+Na]+ 278.074748 160.1
[M-H]- 254.078254 159.9
[M+NH4]+ 273.119353 171.2
[M+K]+ 294.048688 156.3
[M+H-H2O]+ 238.082790 153.2
[M+HCOO]- 300.083731 181.7
[M+CH3COO]- 314.099381 191.1
[M+Na-2H]- 276.060196 161.3
[M]+ 255.08498142 155.9
[M]- 255.08607858 155.9
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.