CID 3074769

161364-84-7

Structural Information

Molecular Formula
C17H23NO5
SMILES
CCOC(=O)CC(=O)N1CCC[C@H]1COC2=CC=CC=C2OC
InChI
InChI=1S/C17H23NO5/c1-3-22-17(20)11-16(19)18-10-6-7-13(18)12-23-15-9-5-4-8-14(15)21-2/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3/t13-/m0/s1
InChIKey
OONSDZRZWIDGCB-ZDUSSCGKSA-N
Compound name
ethyl 3-[(2S)-2-[(2-methoxyphenoxy)methyl]pyrrolidin-1-yl]-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.15762 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.16490 176.1
[M+Na]+ 344.14684 185.0
[M+NH4]+ 339.19144 181.3
[M+K]+ 360.12078 182.1
[M-H]- 320.15034 176.5
[M+Na-2H]- 342.13229 179.2
[M]+ 321.15707 177.0
[M]- 321.15817 177.0
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.