CID 86079719

Dfc-cooh

Structural Information

Molecular Formula
C14H19NO6
SMILES
CCOC1=C(C=C(C=C1)NC(=O)OC(C)C(=O)O)OCC
InChI
InChI=1S/C14H19NO6/c1-4-19-11-7-6-10(8-12(11)20-5-2)15-14(18)21-9(3)13(16)17/h6-9H,4-5H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
SWDQABPWMBOGES-UHFFFAOYSA-N
Compound name
2-[(3,4-diethoxyphenyl)carbamoyloxy]propanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

297.12125 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12853 166.4
[M+Na]+ 320.11047 171.5
[M-H]- 296.11397 168.4
[M+NH4]+ 315.15507 180.5
[M+K]+ 336.08441 171.4
[M+H-H2O]+ 280.11851 159.2
[M+HCOO]- 342.11945 187.4
[M+CH3COO]- 356.13510 203.4
[M+Na-2H]- 318.09592 166.9
[M]+ 297.12070 171.4
[M]- 297.12180 171.4
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

No patent data available for this compound.