CID 86325494

Rac-tert-butyl n-[(3r,5r)-5-phenylpyrrolidin-3-yl]carbamate

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CC(C)(C)OC(=O)N[C@H]1C[C@H](NC1)C2=CC=CC=C2
InChI
InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-12-9-13(16-10-12)11-7-5-4-6-8-11/h4-8,12-13,16H,9-10H2,1-3H3,(H,17,18)/t12-,13-/m0/s1
InChIKey
NYHRWBNVAKQKGY-STQMWFEESA-N
Compound name
tert-butyl N-[(3S,5S)-5-phenylpyrrolidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

262.16812 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.175396 163.6
[M+Na]+ 285.157338 167.8
[M-H]- 261.160844 167.1
[M+NH4]+ 280.201943 179.7
[M+K]+ 301.131278 164.8
[M+H-H2O]+ 245.165380 156.4
[M+HCOO]- 307.166321 181.9
[M+CH3COO]- 321.181971 194.2
[M+Na-2H]- 283.142786 165.7
[M]+ 262.16757142 160.1
[M]- 262.16866858 160.1
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