CID 10615573

Z-pyr-otbu

Structural Information

Molecular Formula
C17H21NO5
SMILES
CC(C)(C)OC(=O)[C@@H]1CCC(=O)N1C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C17H21NO5/c1-17(2,3)23-15(20)13-9-10-14(19)18(13)16(21)22-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m0/s1
InChIKey
VLWCTEHZKXFOHR-ZDUSSCGKSA-N
Compound name
1-O-benzyl 2-O-tert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

319.14197 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.14925 173.7
[M+Na]+ 342.13119 182.3
[M+NH4]+ 337.17579 178.4
[M+K]+ 358.10513 180.8
[M-H]- 318.13469 173.3
[M+Na-2H]- 340.11664 176.9
[M]+ 319.14142 174.4
[M]- 319.14252 174.4
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