CID 111123178

Tert-butyl 4-{[(3r)-3-hydroxypyrrolidin-1-yl]methyl}piperidine-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C15H28N2O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CN2CC[C@@H](C2)O
InChI
InChI=1S/C15H28N2O3/c1-15(2,3)20-14(19)17-8-4-12(5-9-17)10-16-7-6-13(18)11-16/h12-13,18H,4-11H2,1-3H3/t13-/m0/s1
InChIKey
WEKXSAHMQLCENN-ZDUSSCGKSA-N
Compound name
tert-butyl 4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.21 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.21728 170.2
[M+Na]+ 307.19922 176.9
[M+NH4]+ 302.24382 175.7
[M+K]+ 323.17316 175.2
[M-H]- 283.20272 169.6
[M+Na-2H]- 305.18467 171.5
[M]+ 284.20945 170.5
[M]- 284.21055 170.5
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

No patent data available for this compound.