CID 201660

246 dl

Structural Information

Molecular Formula
C16H20N2O4
SMILES
C1CCN(C1)C(=O)C(CCC(=O)O)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H20N2O4/c19-14(20)9-8-13(16(22)18-10-4-5-11-18)17-15(21)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,17,21)(H,19,20)
InChIKey
NTGODHYMKXQDTG-UHFFFAOYSA-N
Compound name
4-benzamido-5-oxo-5-pyrrolidin-1-ylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.1423 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.14958 172.0
[M+Na]+ 327.13152 173.6
[M-H]- 303.13502 174.8
[M+NH4]+ 322.17612 185.0
[M+K]+ 343.10546 171.6
[M+H-H2O]+ 287.13956 163.7
[M+HCOO]- 349.14050 189.2
[M+CH3COO]- 363.15615 201.7
[M+Na-2H]- 325.11697 170.0
[M]+ 304.14175 168.5
[M]- 304.14285 168.5
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.