CID 3160060

1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

265.09503 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.102306 156.1
[M+Na]+ 288.084248 164.0
[M-H]- 264.087754 160.7
[M+NH4]+ 283.128853 172.5
[M+K]+ 304.058188 162.2
[M+H-H2O]+ 248.092290 149.3
[M+HCOO]- 310.093231 176.3
[M+CH3COO]- 324.108881 194.1
[M+Na-2H]- 286.069696 156.2
[M]+ 265.09448142 158.2
[M]- 265.09557858 158.2
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

patents stripe