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

7
Patents

275.15213 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.159406 165.5
[M+Na]+ 298.141348 171.7
[M-H]- 274.144854 170.7
[M+NH4]+ 293.185953 182.3
[M+K]+ 314.115288 169.4
[M+H-H2O]+ 258.149390 158.5
[M+HCOO]- 320.150331 184.3
[M+CH3COO]- 334.165981 197.2
[M+Na-2H]- 296.126796 166.5
[M]+ 275.15158142 166.1
[M]- 275.15267858 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