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

2
Patents

279.1107 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.11798 162.9
[M+Na]+ 302.09992 173.3
[M+NH4]+ 297.14452 168.3
[M+K]+ 318.07386 171.3
[M-H]- 278.10342 163.3
[M+Na-2H]- 300.08537 165.8
[M]+ 279.11015 164.1
[M]- 279.11125 164.1
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