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]+ 212.091736 145.1
[M+Na]+ 234.073678 153.8
[M-H]- 210.077184 149.8
[M+NH4]+ 229.118283 164.3
[M+K]+ 250.047618 154.1
[M+H-H2O]+ 194.081720 139.8
[M+HCOO]- 256.082661 168.7
[M+CH3COO]- 270.098311 189.8
[M+Na-2H]- 232.059126 146.4
[M]+ 211.08391142 149.0
[M]- 211.08500858 149.0
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.