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]+ 300.063336 161.8
[M+Na]+ 322.045278 171.3
[M-H]- 298.048784 166.7
[M+NH4]+ 317.089883 178.1
[M+K]+ 338.019218 167.8
[M+H-H2O]+ 282.053320 156.0
[M+HCOO]- 344.054261 177.4
[M+CH3COO]- 358.069911 199.1
[M+Na-2H]- 320.030726 160.9
[M]+ 299.05551142 166.3
[M]- 299.05660858 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.