CID 83843354

Tert-butyl 3-(3-hydroxyazetidin-1-yl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C12H22N2O3
SMILES
CC(C)(C)OC(=O)N1CCC(C1)N2CC(C2)O
InChI
InChI=1S/C12H22N2O3/c1-12(2,3)17-11(16)13-5-4-9(6-13)14-7-10(15)8-14/h9-10,15H,4-8H2,1-3H3
InChIKey
LCZVDGLHZPTQER-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-hydroxyazetidin-1-yl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

242.16304 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.17032 157.3
[M+Na]+ 265.15226 160.8
[M-H]- 241.15576 159.3
[M+NH4]+ 260.19686 166.8
[M+K]+ 281.12620 162.9
[M+H-H2O]+ 225.16030 145.6
[M+HCOO]- 287.16124 171.0
[M+CH3COO]- 301.17689 192.0
[M+Na-2H]- 263.13771 156.9
[M]+ 242.16249 163.9
[M]- 242.16359 163.9
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

patents stripe