CID 5144097

1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C13H15NO5
SMILES
COC1=CC(=C(C=C1)OC)N2CC(CC2=O)C(=O)O
InChI
InChI=1S/C13H15NO5/c1-18-9-3-4-11(19-2)10(6-9)14-7-8(13(16)17)5-12(14)15/h3-4,6,8H,5,7H2,1-2H3,(H,16,17)
InChIKey
FEEBSVLOWPYDKI-UHFFFAOYSA-N
Compound name
1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

265.09503 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10231 158.7
[M+Na]+ 288.08425 168.9
[M+NH4]+ 283.12885 164.3
[M+K]+ 304.05819 166.9
[M-H]- 264.08775 159.1
[M+Na-2H]- 286.06970 162.1
[M]+ 265.09448 159.8
[M]- 265.09558 159.8
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

patents stripe