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 145.1
[M+Na]+ 234.07368 153.8
[M-H]- 210.07718 149.8
[M+NH4]+ 229.11828 164.3
[M+K]+ 250.04762 154.1
[M+H-H2O]+ 194.08172 139.8
[M+HCOO]- 256.08266 168.7
[M+CH3COO]- 270.09831 189.8
[M+Na-2H]- 232.05913 146.4
[M]+ 211.08391 149.0
[M]- 211.08501 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.