CID 1583324

Ethyl 4-acetyl-2-amino-5-methyl-3-furoate

Structural Information

Molecular Formula
C10H13NO4
SMILES
CCOC(=O)C1=C(OC(=C1C(=O)C)C)N
InChI
InChI=1S/C10H13NO4/c1-4-14-10(13)8-7(5(2)12)6(3)15-9(8)11/h4,11H2,1-3H3
InChIKey
DCRWMYACLRWEAX-UHFFFAOYSA-N
Compound name
ethyl 4-acetyl-2-amino-5-methylfuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.08446 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.09174 146.1
[M+Na]+ 234.07368 155.2
[M+NH4]+ 229.11828 151.9
[M+K]+ 250.04762 154.3
[M-H]- 210.07718 147.0
[M+Na-2H]- 232.05913 147.9
[M]+ 211.08391 147.2
[M]- 211.08501 147.2
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.