CID 138039637

2241130-76-5

Structural Information

Molecular Formula
C15H27N3O3
SMILES
CC1(CN(C1=O)C2CCN(CC2)C(=O)OC(C)(C)C)CN
InChI
InChI=1S/C15H27N3O3/c1-14(2,3)21-13(20)17-7-5-11(6-8-17)18-10-15(4,9-16)12(18)19/h11H,5-10,16H2,1-4H3
InChIKey
OZBXZYNXSCQVJW-UHFFFAOYSA-N
Compound name
tert-butyl 4-[3-(aminomethyl)-3-methyl-2-oxoazetidin-1-yl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.20523 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.21251 176.1
[M+Na]+ 320.19445 179.2
[M-H]- 296.19795 178.5
[M+NH4]+ 315.23905 183.8
[M+K]+ 336.16839 181.0
[M+H-H2O]+ 280.20249 163.8
[M+HCOO]- 342.20343 188.6
[M+CH3COO]- 356.21908 207.9
[M+Na-2H]- 318.17990 175.7
[M]+ 297.20468 181.8
[M]- 297.20578 181.8
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.