CID 58691803

Tert-butyl 3-benzyl-4-oxopyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C16H21NO3
SMILES
CC(C)(C)OC(=O)N1CC(C(=O)C1)CC2=CC=CC=C2
InChI
InChI=1S/C16H21NO3/c1-16(2,3)20-15(19)17-10-13(14(18)11-17)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3
InChIKey
MPQKCJLNGYCGON-UHFFFAOYSA-N
Compound name
tert-butyl 3-benzyl-4-oxopyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

275.15213 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15941 165.5
[M+Na]+ 298.14135 171.7
[M-H]- 274.14485 170.7
[M+NH4]+ 293.18595 182.3
[M+K]+ 314.11529 169.4
[M+H-H2O]+ 258.14939 158.5
[M+HCOO]- 320.15033 184.3
[M+CH3COO]- 334.16598 197.2
[M+Na-2H]- 296.12680 166.5
[M]+ 275.15158 166.1
[M]- 275.15268 166.1
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