CID 4962479

854357-30-5

Structural Information

Molecular Formula
C9H12N2O4
SMILES
CCOC(=O)C1=C(OC(=C1C(=O)N)N)C
InChI
InChI=1S/C9H12N2O4/c1-3-14-9(13)5-4(2)15-8(11)6(5)7(10)12/h3,11H2,1-2H3,(H2,10,12)
InChIKey
WKOFKXOOGACFCT-UHFFFAOYSA-N
Compound name
ethyl 5-amino-4-carbamoyl-2-methylfuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.07971 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.08699 145.8
[M+Na]+ 235.06893 153.9
[M-H]- 211.07243 150.0
[M+NH4]+ 230.11353 164.2
[M+K]+ 251.04287 154.1
[M+H-H2O]+ 195.07697 139.9
[M+HCOO]- 257.07791 170.0
[M+CH3COO]- 271.09356 191.5
[M+Na-2H]- 233.05438 146.7
[M]+ 212.07916 147.5
[M]- 212.08026 147.5
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.