CID 3043762

2-oxo-1-phenylpyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C11H11NO3
SMILES
C1CN(C(=O)C1C(=O)O)C2=CC=CC=C2
InChI
InChI=1S/C11H11NO3/c13-10-9(11(14)15)6-7-12(10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,14,15)
InChIKey
KIXWRXJXMVUWCP-UHFFFAOYSA-N
Compound name
2-oxo-1-phenylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

145
Patents

205.0739 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 142.8
[M+Na]+ 228.06312 150.1
[M-H]- 204.06662 147.0
[M+NH4]+ 223.10772 161.3
[M+K]+ 244.03706 147.5
[M+H-H2O]+ 188.07116 136.1
[M+HCOO]- 250.07210 163.3
[M+CH3COO]- 264.08775 181.2
[M+Na-2H]- 226.04857 145.0
[M]+ 205.07335 140.4
[M]- 205.07445 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

literature stripe

Patent stripe

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