CID 20118679

1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C14H17NO5
SMILES
COC1=CC(=C(C=C1)C(=O)N2CCCC2C(=O)O)OC
InChI
InChI=1S/C14H17NO5/c1-19-9-5-6-10(12(8-9)20-2)13(16)15-7-3-4-11(15)14(17)18/h5-6,8,11H,3-4,7H2,1-2H3,(H,17,18)
InChIKey
RPVWPEHEQFOSLX-UHFFFAOYSA-N
Compound name
1-(2,4-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.1107 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.117976 161.4
[M+Na]+ 302.099918 167.7
[M-H]- 278.103424 165.6
[M+NH4]+ 297.144523 177.0
[M+K]+ 318.073858 166.2
[M+H-H2O]+ 262.107960 154.3
[M+HCOO]- 324.108901 180.3
[M+CH3COO]- 338.124551 196.1
[M+Na-2H]- 300.085366 160.5
[M]+ 279.11015142 162.7
[M]- 279.11124858 162.7
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.