CID 124632369

1-benzyl 2-(tert-butyl) (r)-4-oxopyrrolidine-1,2-dicarboxylate

Structural Information

Molecular Formula
C17H21NO5
SMILES
CC(C)(C)OC(=O)[C@H]1CC(=O)CN1C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C17H21NO5/c1-17(2,3)23-15(20)14-9-13(19)10-18(14)16(21)22-11-12-7-5-4-6-8-12/h4-8,14H,9-11H2,1-3H3/t14-/m1/s1
InChIKey
UOZXRTSYHFCTJZ-CQSZACIVSA-N
Compound name
1-O-benzyl 2-O-tert-butyl (2R)-4-oxopyrrolidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

319.14197 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.14925 174.0
[M+Na]+ 342.13119 179.4
[M-H]- 318.13469 179.1
[M+NH4]+ 337.17579 188.6
[M+K]+ 358.10513 178.1
[M+H-H2O]+ 302.13923 166.8
[M+HCOO]- 364.14017 192.0
[M+CH3COO]- 378.15582 203.8
[M+Na-2H]- 340.11664 173.8
[M]+ 319.14142 176.4
[M]- 319.14252 176.4
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