CID 13863568

111492-61-6

Structural Information

Molecular Formula
C16H21NO3
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H21NO3/c1-16(2,3)20-15(19)17-11-7-10-13(17)14(18)12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3/t13-/m0/s1
InChIKey
XJQDKMPOKJENLS-ZDUSSCGKSA-N
Compound name
tert-butyl (2S)-2-benzoylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

275.15213 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15941 165.7
[M+Na]+ 298.14135 170.7
[M-H]- 274.14485 170.6
[M+NH4]+ 293.18595 182.0
[M+K]+ 314.11529 168.8
[M+H-H2O]+ 258.14939 158.6
[M+HCOO]- 320.15033 183.5
[M+CH3COO]- 334.16598 196.8
[M+Na-2H]- 296.12680 166.2
[M]+ 275.15158 165.3
[M]- 275.15268 165.3
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