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

literature stripe

Patent stripe

patents stripe