CID 90159344

Tert-butyl 3-(benzyloxy)-4-oxopyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C16H21NO4
SMILES
CC(C)(C)OC(=O)N1CC(C(=O)C1)OCC2=CC=CC=C2
InChI
InChI=1S/C16H21NO4/c1-16(2,3)21-15(19)17-9-13(18)14(10-17)20-11-12-7-5-4-6-8-12/h4-8,14H,9-11H2,1-3H3
InChIKey
FPFWWPZOUAYHDV-UHFFFAOYSA-N
Compound name
tert-butyl 3-oxo-4-phenylmethoxypyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

291.14706 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.15434 168.4
[M+Na]+ 314.13628 174.4
[M-H]- 290.13978 173.5
[M+NH4]+ 309.18088 184.3
[M+K]+ 330.11022 172.7
[M+H-H2O]+ 274.14432 161.2
[M+HCOO]- 336.14526 187.4
[M+CH3COO]- 350.16091 199.3
[M+Na-2H]- 312.12173 169.5
[M]+ 291.14651 170.4
[M]- 291.14761 170.4
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