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]+ 280.11798 161.4
[M+Na]+ 302.09992 167.7
[M-H]- 278.10342 165.6
[M+NH4]+ 297.14452 177.0
[M+K]+ 318.07386 166.2
[M+H-H2O]+ 262.10796 154.3
[M+HCOO]- 324.10890 180.3
[M+CH3COO]- 338.12455 196.1
[M+Na-2H]- 300.08537 160.5
[M]+ 279.11015 162.7
[M]- 279.11125 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.