CID 3071443

N-(piperidinomethyl)valnoctamide hydrochloride

Structural Information

Molecular Formula
C14H28N2O
SMILES
CCC(C)C(CC)C(=O)NCN1CCCCC1
InChI
InChI=1S/C14H28N2O/c1-4-12(3)13(5-2)14(17)15-11-16-9-7-6-8-10-16/h12-13H,4-11H2,1-3H3,(H,15,17)
InChIKey
SCQXXQZWLSOCNZ-UHFFFAOYSA-N
Compound name
2-ethyl-3-methyl-N-(piperidin-1-ylmethyl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.22017 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.22745 162.4
[M+Na]+ 263.20939 169.6
[M+NH4]+ 258.25399 169.1
[M+K]+ 279.18333 164.4
[M-H]- 239.21289 163.0
[M+Na-2H]- 261.19484 164.7
[M]+ 240.21962 163.2
[M]- 240.22072 163.2
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.