CID 9578361

2-semicarbazidoacetic acid, 1-(5-nitrofurfurylidene)-, methyl ester

Structural Information

Molecular Formula
C9H10N4O6
SMILES
COC(=O)CN(C(=O)N)/N=C/C1=CC=C(O1)[N+](=O)[O-]
InChI
InChI=1S/C9H10N4O6/c1-18-8(14)5-12(9(10)15)11-4-6-2-3-7(19-6)13(16)17/h2-4H,5H2,1H3,(H2,10,15)/b11-4+
InChIKey
ABBNDQUSBNSIHV-NYYWCZLTSA-N
Compound name
methyl 2-[carbamoyl-[(E)-(5-nitrofuran-2-yl)methylideneamino]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.06003 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06731 156.0
[M+Na]+ 293.04925 160.5
[M-H]- 269.05275 162.6
[M+NH4]+ 288.09385 171.3
[M+K]+ 309.02319 158.9
[M+H-H2O]+ 253.05729 152.7
[M+HCOO]- 315.05823 184.9
[M+CH3COO]- 329.07388 199.0
[M+Na-2H]- 291.03470 161.6
[M]+ 270.05948 157.6
[M]- 270.06058 157.6
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.