CID 120652

1-decyl-3-(n,n-diethylcarbamoyl)piperidine hydrobromide

Structural Information

Molecular Formula
C20H40N2O
SMILES
CCCCCCCCCCN1CCCC(C1)C(=O)N(CC)CC
InChI
InChI=1S/C20H40N2O/c1-4-7-8-9-10-11-12-13-16-21-17-14-15-19(18-21)20(23)22(5-2)6-3/h19H,4-18H2,1-3H3
InChIKey
QHDWRYQSNODWBJ-UHFFFAOYSA-N
Compound name
1-decyl-N,N-diethylpiperidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

10
Patents

324.31406 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.32134 189.5
[M+Na]+ 347.30328 189.4
[M-H]- 323.30678 190.2
[M+NH4]+ 342.34788 202.6
[M+K]+ 363.27722 187.1
[M+H-H2O]+ 307.31132 180.5
[M+HCOO]- 369.31226 205.6
[M+CH3COO]- 383.32791 218.9
[M+Na-2H]- 345.28873 186.5
[M]+ 324.31351 190.5
[M]- 324.31461 190.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe