CID 3709814

1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C13H15NO4
SMILES
CCOC1=CC=CC=C1N2CC(CC2=O)C(=O)O
InChI
InChI=1S/C13H15NO4/c1-2-18-11-6-4-3-5-10(11)14-8-9(13(16)17)7-12(14)15/h3-6,9H,2,7-8H2,1H3,(H,16,17)
InChIKey
OBDVPBLMUOHJQO-UHFFFAOYSA-N
Compound name
1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

249.10011 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.107386 154.2
[M+Na]+ 272.089328 161.3
[M-H]- 248.092834 158.4
[M+NH4]+ 267.133933 171.1
[M+K]+ 288.063268 158.9
[M+H-H2O]+ 232.097370 147.2
[M+HCOO]- 294.098311 174.2
[M+CH3COO]- 308.113961 190.6
[M+Na-2H]- 270.074776 154.7
[M]+ 249.09956142 154.4
[M]- 249.10065858 154.4
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.