CID 6439115

68748-55-0

Structural Information

Molecular Formula
C14H15NO6
SMILES
CC(=O)OC1CC(=CO1)/C=C/C(=O)NC2=C(CCC2=O)O
InChI
InChI=1S/C14H15NO6/c1-8(16)21-13-6-9(7-20-13)2-5-12(19)15-14-10(17)3-4-11(14)18/h2,5,7,13,17H,3-4,6H2,1H3,(H,15,19)/b5-2+
InChIKey
VKXPFUZQXMQEDU-GORDUTHDSA-N
Compound name
[4-[(E)-3-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-3-oxoprop-1-enyl]-2,3-dihydrofuran-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

293.08994 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.09722 165.1
[M+Na]+ 316.07916 170.8
[M-H]- 292.08266 171.4
[M+NH4]+ 311.12376 181.4
[M+K]+ 332.05310 169.8
[M+H-H2O]+ 276.08720 159.5
[M+HCOO]- 338.08814 186.5
[M+CH3COO]- 352.10379 198.4
[M+Na-2H]- 314.06461 163.6
[M]+ 293.08939 166.3
[M]- 293.09049 166.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe