CID 11277777

252574-03-1

Structural Information

Molecular Formula
C16H24N2O3
SMILES
CC(C)(C)OC(=O)N1C[C@@H]([C@H](C1)O)NCC2=CC=CC=C2
InChI
InChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)18-10-13(14(19)11-18)17-9-12-7-5-4-6-8-12/h4-8,13-14,17,19H,9-11H2,1-3H3/t13-,14-/m0/s1
InChIKey
GVYATPKTSSTHKN-KBPBESRZSA-N
Compound name
tert-butyl (3S,4S)-3-(benzylamino)-4-hydroxypyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

292.17868 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.18596 170.4
[M+Na]+ 315.16790 178.7
[M+NH4]+ 310.21250 176.3
[M+K]+ 331.14184 176.2
[M-H]- 291.17140 171.5
[M+Na-2H]- 313.15335 174.3
[M]+ 292.17813 171.5
[M]- 292.17923 171.5
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

patents stripe