CID 12248488

5-oxo-1-phenylpyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C11H11NO3
SMILES
C1CC(=O)N(C1C(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C11H11NO3/c13-10-7-6-9(11(14)15)12(10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,14,15)
InChIKey
JITXFZOGKNNXCT-UHFFFAOYSA-N
Compound name
5-oxo-1-phenylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

205.0739 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.081176 142.8
[M+Na]+ 228.063118 150.1
[M-H]- 204.066624 147.0
[M+NH4]+ 223.107723 161.3
[M+K]+ 244.037058 147.5
[M+H-H2O]+ 188.071160 136.1
[M+HCOO]- 250.072101 163.3
[M+CH3COO]- 264.087751 181.2
[M+Na-2H]- 226.048566 145.0
[M]+ 205.07335142 140.4
[M]- 205.07444858 140.4
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

patents stripe