CID 66769979

Tert-butyl 2-(3-hydroxyazetidin-3-yl)piperidine-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C13H24N2O3
SMILES
CC(C)(C)OC(=O)N1CCCCC1C2(CNC2)O
InChI
InChI=1S/C13H24N2O3/c1-12(2,3)18-11(16)15-7-5-4-6-10(15)13(17)8-14-9-13/h10,14,17H,4-9H2,1-3H3
InChIKey
DBXFIYLGJDPVHA-UHFFFAOYSA-N
Compound name
tert-butyl 2-(3-hydroxyazetidin-3-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

256.17868 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.185956 165.0
[M+Na]+ 279.167898 167.2
[M-H]- 255.171404 165.0
[M+NH4]+ 274.212503 173.2
[M+K]+ 295.141838 168.5
[M+H-H2O]+ 239.175940 153.5
[M+HCOO]- 301.176881 174.8
[M+CH3COO]- 315.192531 191.4
[M+Na-2H]- 277.153346 166.6
[M]+ 256.17813142 168.1
[M]- 256.17922858 168.1
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.