CID 4532745

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

Structural Information

Molecular Formula
C14H17NO5
SMILES
CN1C(C(CC1=O)C(=O)O)C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C14H17NO5/c1-15-12(16)7-9(14(17)18)13(15)8-4-5-10(19-2)11(6-8)20-3/h4-6,9,13H,7H2,1-3H3,(H,17,18)
InChIKey
IGCUAQHQLRVAAG-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

279.1107 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.117976 160.1
[M+Na]+ 302.099918 168.4
[M-H]- 278.103424 164.9
[M+NH4]+ 297.144523 176.3
[M+K]+ 318.073858 166.5
[M+H-H2O]+ 262.107960 153.4
[M+HCOO]- 324.108901 179.9
[M+CH3COO]- 338.124551 198.4
[M+Na-2H]- 300.085366 159.1
[M]+ 279.11015142 162.9
[M]- 279.11124858 162.9
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