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

24
Patents

291.14706 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.154336 168.4
[M+Na]+ 314.136278 174.4
[M-H]- 290.139784 173.5
[M+NH4]+ 309.180883 184.3
[M+K]+ 330.110218 172.7
[M+H-H2O]+ 274.144320 161.2
[M+HCOO]- 336.145261 187.4
[M+CH3COO]- 350.160911 199.3
[M+Na-2H]- 312.121726 169.5
[M]+ 291.14651142 170.4
[M]- 291.14760858 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