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]+ 285.217276 172.2
[M+Na]+ 307.199218 174.9
[M-H]- 283.202724 173.4
[M+NH4]+ 302.243823 186.2
[M+K]+ 323.173158 173.1
[M+H-H2O]+ 267.207260 164.6
[M+HCOO]- 329.208201 183.8
[M+CH3COO]- 343.223851 196.5
[M+Na-2H]- 305.184666 170.2
[M]+ 284.20945142 167.5
[M]- 284.21054858 167.5
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.