CID 2986044

1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
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

No literature data available for this compound.

Patent stripe

patents stripe