CID 3060508

2-furancarboxylic acid, 2-(5,6-dihydro-2h-1,4-oxazin-3-yl)hydrazide

Structural Information

Molecular Formula
C9H11N3O3
SMILES
C1COCC(=N1)NNC(=O)C2=CC=CO2
InChI
InChI=1S/C9H11N3O3/c13-9(7-2-1-4-15-7)12-11-8-6-14-5-3-10-8/h1-2,4H,3,5-6H2,(H,10,11)(H,12,13)
InChIKey
BOMLBMMWALAUFE-UHFFFAOYSA-N
Compound name
N'-(3,6-dihydro-2H-1,4-oxazin-5-yl)furan-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.08005 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.087326 143.9
[M+Na]+ 232.069268 148.9
[M-H]- 208.072774 150.2
[M+NH4]+ 227.113873 159.2
[M+K]+ 248.043208 149.8
[M+H-H2O]+ 192.077310 135.9
[M+HCOO]- 254.078251 166.5
[M+CH3COO]- 268.093901 184.6
[M+Na-2H]- 230.054716 151.2
[M]+ 209.07950142 142.1
[M]- 209.08059858 142.1
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.