CID 73553659

Tert-butyl 4-(azetidin-3-yl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C13H24N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2CNC2
InChI
InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-6-4-10(5-7-15)11-8-14-9-11/h10-11,14H,4-9H2,1-3H3
InChIKey
FYSIMLVTGVEINH-UHFFFAOYSA-N
Compound name
tert-butyl 4-(azetidin-3-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

240.18378 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19106 159.5
[M+Na]+ 263.17300 161.5
[M-H]- 239.17650 160.6
[M+NH4]+ 258.21760 167.2
[M+K]+ 279.14694 162.8
[M+H-H2O]+ 223.18104 146.7
[M+HCOO]- 285.18198 170.7
[M+CH3COO]- 299.19763 192.1
[M+Na-2H]- 261.15845 160.5
[M]+ 240.18323 162.7
[M]- 240.18433 162.7
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