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]+ 255.170316 159.4
[M+Na]+ 277.152258 162.7
[M-H]- 253.155764 162.1
[M+NH4]+ 272.196863 167.2
[M+K]+ 293.126198 164.9
[M+H-H2O]+ 237.160300 146.6
[M+HCOO]- 299.161241 172.4
[M+CH3COO]- 313.176891 197.0
[M+Na-2H]- 275.137706 160.4
[M]+ 254.16249142 165.5
[M]- 254.16358858 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