CID 69094639

Tert-butyl 3-(4-oxopiperidin-1-yl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C13H22N2O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)N2CCC(=O)CC2
InChI
InChI=1S/C13H22N2O3/c1-13(2,3)18-12(17)15-8-10(9-15)14-6-4-11(16)5-7-14/h10H,4-9H2,1-3H3
InChIKey
KWMRZALVNKIDQT-UHFFFAOYSA-N
Compound name
tert-butyl 3-(4-oxopiperidin-1-yl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

254.16304 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.17032 159.4
[M+Na]+ 277.15226 162.7
[M-H]- 253.15576 162.1
[M+NH4]+ 272.19686 167.2
[M+K]+ 293.12620 164.9
[M+H-H2O]+ 237.16030 146.6
[M+HCOO]- 299.16124 172.4
[M+CH3COO]- 313.17689 197.0
[M+Na-2H]- 275.13771 160.4
[M]+ 254.16249 165.5
[M]- 254.16359 165.5
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