CID 24859471

(r)-n-boc-2-phenylpyrrolidine

Structural Information

Molecular Formula
C15H21NO2
SMILES
CC(C)(C)OC(=O)N1CCC[C@@H]1C2=CC=CC=C2
InChI
InChI=1S/C15H21NO2/c1-15(2,3)18-14(17)16-11-7-10-13(16)12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3/t13-/m1/s1
InChIKey
NRRWLVIUZOVWTI-CYBMUJFWSA-N
Compound name
tert-butyl (2R)-2-phenylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.15723 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 159.7
[M+Na]+ 270.14645 165.3
[M-H]- 246.14995 164.7
[M+NH4]+ 265.19105 177.5
[M+K]+ 286.12039 163.2
[M+H-H2O]+ 230.15449 152.6
[M+HCOO]- 292.15543 178.5
[M+CH3COO]- 306.17108 191.8
[M+Na-2H]- 268.13190 161.7
[M]+ 247.15668 158.8
[M]- 247.15778 158.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.