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]+ 305.149576 172.0
[M+Na]+ 327.131518 173.6
[M-H]- 303.135024 174.8
[M+NH4]+ 322.176123 185.0
[M+K]+ 343.105458 171.6
[M+H-H2O]+ 287.139560 163.7
[M+HCOO]- 349.140501 189.2
[M+CH3COO]- 363.156151 201.7
[M+Na-2H]- 325.116966 170.0
[M]+ 304.14175142 168.5
[M]- 304.14284858 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.