CID 16769092

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

Structural Information

Molecular Formula
C13H15NO5
SMILES
COC1=CC(=CC(=C1)N2CC(CC2=O)C(=O)O)OC
InChI
InChI=1S/C13H15NO5/c1-18-10-4-9(5-11(6-10)19-2)14-7-8(13(16)17)3-12(14)15/h4-6,8H,3,7H2,1-2H3,(H,16,17)
InChIKey
MAIVMKPIFBEDAY-UHFFFAOYSA-N
Compound name
1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 156.1
[M+Na]+ 288.08425 164.0
[M-H]- 264.08775 160.7
[M+NH4]+ 283.12885 172.5
[M+K]+ 304.05819 162.2
[M+H-H2O]+ 248.09229 149.3
[M+HCOO]- 310.09323 176.3
[M+CH3COO]- 324.10888 194.1
[M+Na-2H]- 286.06970 156.2
[M]+ 265.09448 158.2
[M]- 265.09558 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