CID 9570875

1,3-dioxolane-2-carboxylic acid, 2-methyl-, (5-nitrofurfurylidene)hydrazide

Structural Information

Molecular Formula
C10H11N3O6
SMILES
CC1(OCCO1)C(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C10H11N3O6/c1-10(17-4-5-18-10)9(14)12-11-6-7-2-3-8(19-7)13(15)16/h2-3,6H,4-5H2,1H3,(H,12,14)/b11-6+
InChIKey
XBZQNWLFPXEXAO-IZZDOVSWSA-N
Compound name
2-methyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-dioxolane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.0648 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07208 156.9
[M+Na]+ 292.05402 161.5
[M-H]- 268.05752 166.6
[M+NH4]+ 287.09862 172.9
[M+K]+ 308.02796 160.3
[M+H-H2O]+ 252.06206 156.1
[M+HCOO]- 314.06300 182.5
[M+CH3COO]- 328.07865 192.4
[M+Na-2H]- 290.03947 166.0
[M]+ 269.06425 158.0
[M]- 269.06535 158.0
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.