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 147.9
[M+Na]+ 242.07876 154.9
[M-H]- 218.08226 152.0
[M+NH4]+ 237.12336 167.6
[M+K]+ 258.05270 152.2
[M+H-H2O]+ 202.08680 141.5
[M+HCOO]- 264.08774 168.1
[M+CH3COO]- 278.10339 181.9
[M+Na-2H]- 240.06421 151.4
[M]+ 219.08899 145.7
[M]- 219.09009 145.7
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.