CID 366149

Nsc634476

Structural Information

Molecular Formula
C10H13NO4
SMILES
CCOC(=O)C1=C(OCC1=O)NCC=C
InChI
InChI=1S/C10H13NO4/c1-3-5-11-9-8(7(12)6-15-9)10(13)14-4-2/h3,11H,1,4-6H2,2H3
InChIKey
COKVLPODFGKMDZ-UHFFFAOYSA-N
Compound name
ethyl 4-oxo-2-(prop-2-enylamino)furan-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.08446 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.09174 145.0
[M+Na]+ 234.07368 152.3
[M-H]- 210.07718 149.3
[M+NH4]+ 229.11828 164.0
[M+K]+ 250.04762 152.0
[M+H-H2O]+ 194.08172 139.4
[M+HCOO]- 256.08266 169.0
[M+CH3COO]- 270.09831 187.8
[M+Na-2H]- 232.05913 148.3
[M]+ 211.08391 148.0
[M]- 211.08501 148.0
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.