CID 50986422

Tert-butyl 4-(3-hydroxyazetidin-1-yl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C13H24N2O3
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)N2CC(C2)O
InChI
InChI=1S/C13H24N2O3/c1-13(2,3)18-12(17)14-6-4-10(5-7-14)15-8-11(16)9-15/h10-11,16H,4-9H2,1-3H3
InChIKey
SXDVUGNDCYIHNT-UHFFFAOYSA-N
Compound name
tert-butyl 4-(3-hydroxyazetidin-1-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

256.17868 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.185956 162.2
[M+Na]+ 279.167898 164.8
[M-H]- 255.171404 163.5
[M+NH4]+ 274.212503 169.3
[M+K]+ 295.141838 166.7
[M+H-H2O]+ 239.175940 149.5
[M+HCOO]- 301.176881 173.5
[M+CH3COO]- 315.192531 195.4
[M+Na-2H]- 277.153346 162.6
[M]+ 256.17813142 167.1
[M]- 256.17922858 167.1
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

patents stripe