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 175.5
[M+Na]+ 344.14684 180.1
[M-H]- 320.15034 180.1
[M+NH4]+ 339.19144 189.8
[M+K]+ 360.12078 178.8
[M+H-H2O]+ 304.15488 167.3
[M+HCOO]- 366.15582 194.9
[M+CH3COO]- 380.17147 205.5
[M+Na-2H]- 342.13229 174.1
[M]+ 321.15707 179.2
[M]- 321.15817 179.2
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.