CID 98960

80953-62-4

Structural Information

Molecular Formula
C13H13NO5
SMILES
C1CC(=O)N(C1C(=O)O)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H13NO5/c15-11-7-6-10(12(16)17)14(11)13(18)19-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,16,17)
InChIKey
VHSFUGXCSGOKJX-UHFFFAOYSA-N
Compound name
5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

54
Patents

263.07938 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.08666 158.4
[M+Na]+ 286.06860 167.6
[M+NH4]+ 281.11320 163.6
[M+K]+ 302.04254 165.9
[M-H]- 262.07210 158.2
[M+Na-2H]- 284.05405 161.8
[M]+ 263.07883 159.1
[M]- 263.07993 159.1
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.