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

58
Patents

319.14197 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.149246 174.0
[M+Na]+ 342.131188 179.4
[M-H]- 318.134694 179.1
[M+NH4]+ 337.175793 188.6
[M+K]+ 358.105128 178.1
[M+H-H2O]+ 302.139230 166.8
[M+HCOO]- 364.140171 192.0
[M+CH3COO]- 378.155821 203.8
[M+Na-2H]- 340.116636 173.8
[M]+ 319.14142142 176.4
[M]- 319.14251858 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