CID 165984033

Tert-butyl 3'-hydroxy-[3,3'-biazetidine]-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C11H20N2O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)C2(CNC2)O
InChI
InChI=1S/C11H20N2O3/c1-10(2,3)16-9(14)13-4-8(5-13)11(15)6-12-7-11/h8,12,15H,4-7H2,1-3H3
InChIKey
FMXFDLFANLZRLL-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-hydroxyazetidin-3-yl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.1474 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.15468 155.0
[M+Na]+ 251.13662 157.3
[M-H]- 227.14012 155.7
[M+NH4]+ 246.18122 157.8
[M+K]+ 267.11056 161.7
[M+H-H2O]+ 211.14466 140.3
[M+HCOO]- 273.14560 165.7
[M+CH3COO]- 287.16125 195.8
[M+Na-2H]- 249.12207 157.0
[M]+ 228.14685 168.7
[M]- 228.14795 168.7
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.