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

12
Patents

256.17868 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.18596 162.2
[M+Na]+ 279.16790 164.8
[M-H]- 255.17140 163.5
[M+NH4]+ 274.21250 169.3
[M+K]+ 295.14184 166.7
[M+H-H2O]+ 239.17594 149.5
[M+HCOO]- 301.17688 173.5
[M+CH3COO]- 315.19253 195.4
[M+Na-2H]- 277.15335 162.6
[M]+ 256.17813 167.1
[M]- 256.17923 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