CID 4961599

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

Structural Information

Molecular Formula
C13H14ClNO5
SMILES
COC1=CC(=C(C=C1N2CC(CC2=O)C(=O)O)Cl)OC
InChI
InChI=1S/C13H14ClNO5/c1-19-10-5-11(20-2)9(4-8(10)14)15-6-7(13(17)18)3-12(15)16/h4-5,7H,3,6H2,1-2H3,(H,17,18)
InChIKey
OCUHZMWALJCXQT-UHFFFAOYSA-N
Compound name
1-(5-chloro-2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.05606 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.06334 161.8
[M+Na]+ 322.04528 171.3
[M-H]- 298.04878 166.7
[M+NH4]+ 317.08988 178.1
[M+K]+ 338.01922 167.8
[M+H-H2O]+ 282.05332 156.0
[M+HCOO]- 344.05426 177.4
[M+CH3COO]- 358.06991 199.1
[M+Na-2H]- 320.03073 160.9
[M]+ 299.05551 166.3
[M]- 299.05661 166.3
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

No patent data available for this compound.