CID 121552399

Rac-tert-butyl 4-[(2r,3s)-3-aminooxolan-2-yl]piperidine-1-carboxylate

Structural Information

Molecular Formula
C14H26N2O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)[C@H]2[C@@H](CCO2)N
InChI
InChI=1S/C14H26N2O3/c1-14(2,3)19-13(17)16-7-4-10(5-8-16)12-11(15)6-9-18-12/h10-12H,4-9,15H2,1-3H3/t11-,12+/m1/s1
InChIKey
IDWVGGMOYJZQRB-NEPJUHHUSA-N
Compound name
tert-butyl 4-[(2S,3R)-3-aminooxolan-2-yl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.19434 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.201616 166.7
[M+Na]+ 293.183558 169.6
[M-H]- 269.187064 171.0
[M+NH4]+ 288.228163 181.6
[M+K]+ 309.157498 169.4
[M+H-H2O]+ 253.191600 159.8
[M+HCOO]- 315.192541 181.1
[M+CH3COO]- 329.208191 197.8
[M+Na-2H]- 291.169006 166.1
[M]+ 270.19379142 161.9
[M]- 270.19488858 161.9
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.