CID 75525946

Methyl 5-oxo-2-phenylpyrrolidine-2-carboxylate

Structural Information

Molecular Formula
C12H13NO3
SMILES
COC(=O)C1(CCC(=O)N1)C2=CC=CC=C2
InChI
InChI=1S/C12H13NO3/c1-16-11(15)12(8-7-10(14)13-12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,14)
InChIKey
HLOOCRWCJLJVDH-UHFFFAOYSA-N
Compound name
methyl 5-oxo-2-phenylpyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.08954 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09682 149.4
[M+Na]+ 242.07876 159.9
[M+NH4]+ 237.12336 157.9
[M+K]+ 258.05270 154.6
[M-H]- 218.08226 150.7
[M+Na-2H]- 240.06421 156.3
[M]+ 219.08899 151.1
[M]- 219.09009 151.1
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.