CID 11414318

Tert-butyl 3-oxo-2-phenylpyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C15H19NO3
SMILES
CC(C)(C)OC(=O)N1CCC(=O)C1C2=CC=CC=C2
InChI
InChI=1S/C15H19NO3/c1-15(2,3)19-14(18)16-10-9-12(17)13(16)11-7-5-4-6-8-11/h4-8,13H,9-10H2,1-3H3
InChIKey
MUGFANGFICUDRL-UHFFFAOYSA-N
Compound name
tert-butyl 3-oxo-2-phenylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

261.1365 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.143776 160.8
[M+Na]+ 284.125718 167.5
[M-H]- 260.129224 166.3
[M+NH4]+ 279.170323 178.2
[M+K]+ 300.099658 165.4
[M+H-H2O]+ 244.133760 154.1
[M+HCOO]- 306.134701 180.0
[M+CH3COO]- 320.150351 194.2
[M+Na-2H]- 282.111166 162.4
[M]+ 261.13595142 161.1
[M]- 261.13704858 161.1
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

patents stripe