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]+ 250.10739 154.2
[M+Na]+ 272.08933 161.3
[M-H]- 248.09283 158.4
[M+NH4]+ 267.13393 171.1
[M+K]+ 288.06327 158.9
[M+H-H2O]+ 232.09737 147.2
[M+HCOO]- 294.09831 174.2
[M+CH3COO]- 308.11396 190.6
[M+Na-2H]- 270.07478 154.7
[M]+ 249.09956 154.4
[M]- 249.10066 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.