CID 80351575

Tert-butyl 3-[(oxolan-3-yl)amino]azetidine-1-carboxylate

Structural Information

Molecular Formula
C12H22N2O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)NC2CCOC2
InChI
InChI=1S/C12H22N2O3/c1-12(2,3)17-11(15)14-6-10(7-14)13-9-4-5-16-8-9/h9-10,13H,4-8H2,1-3H3
InChIKey
KLXMWUVMJOWEFL-UHFFFAOYSA-N
Compound name
tert-butyl 3-(oxolan-3-ylamino)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.16304 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.170316 154.5
[M+Na]+ 265.152258 156.6
[M-H]- 241.155764 159.4
[M+NH4]+ 260.196863 164.1
[M+K]+ 281.126198 160.5
[M+H-H2O]+ 225.160300 142.6
[M+HCOO]- 287.161241 171.1
[M+CH3COO]- 301.176891 195.5
[M+Na-2H]- 263.137706 156.7
[M]+ 242.16249142 161.9
[M]- 242.16358858 161.9
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

No patent data available for this compound.