CID 155822294

Tert-butyl 3-[3-(piperidin-4-yl)propyl]piperidine-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C18H34N2O2
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)CCCC2CCNCC2
InChI
InChI=1S/C18H34N2O2/c1-18(2,3)22-17(21)20-13-5-8-16(14-20)7-4-6-15-9-11-19-12-10-15/h15-16,19H,4-14H2,1-3H3
InChIKey
IFKZWJBNPFMQQS-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-piperidin-4-ylpropyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.26202 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.26930 182.4
[M+Na]+ 333.25124 182.1
[M-H]- 309.25474 182.2
[M+NH4]+ 328.29584 193.1
[M+K]+ 349.22518 178.9
[M+H-H2O]+ 293.25928 173.4
[M+HCOO]- 355.26022 190.6
[M+CH3COO]- 369.27587 202.7
[M+Na-2H]- 331.23669 180.8
[M]+ 310.26147 174.7
[M]- 310.26257 174.7
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

No patent data available for this compound.