CID 121552438

Tert-butyl 3,3-dimethyl-2-(piperidin-4-yl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C15H28N2O2
SMILES
CC1(CN(C1C2CCNCC2)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C15H28N2O2/c1-14(2,3)19-13(18)17-10-15(4,5)12(17)11-6-8-16-9-7-11/h11-12,16H,6-10H2,1-5H3
InChIKey
XEQVNQNQBHYPKR-UHFFFAOYSA-N
Compound name
tert-butyl 3,3-dimethyl-2-piperidin-4-ylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.2151 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.22238 169.8
[M+Na]+ 291.20432 172.7
[M-H]- 267.20782 171.2
[M+NH4]+ 286.24892 178.6
[M+K]+ 307.17826 173.8
[M+H-H2O]+ 251.21236 158.2
[M+HCOO]- 313.21330 180.3
[M+CH3COO]- 327.22895 198.7
[M+Na-2H]- 289.18977 170.1
[M]+ 268.21455 174.4
[M]- 268.21565 174.4
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.