CID 45496786

1203236-27-4

Structural Information

Molecular Formula
C15H18N2O3
SMILES
C1CCN(C1)C2=CC=C(C=C2)N3CC(CC3=O)C(=O)O
InChI
InChI=1S/C15H18N2O3/c18-14-9-11(15(19)20)10-17(14)13-5-3-12(4-6-13)16-7-1-2-8-16/h3-6,11H,1-2,7-10H2,(H,19,20)
InChIKey
ZSPXVTAGSPTLSV-UHFFFAOYSA-N
Compound name
5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.13174 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13902 163.5
[M+Na]+ 297.12096 168.8
[M-H]- 273.12446 169.1
[M+NH4]+ 292.16556 179.1
[M+K]+ 313.09490 165.4
[M+H-H2O]+ 257.12900 155.3
[M+HCOO]- 319.12994 180.5
[M+CH3COO]- 333.14559 194.1
[M+Na-2H]- 295.10641 160.3
[M]+ 274.13119 158.9
[M]- 274.13229 158.9
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.