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]+ 241.227446 163.6
[M+Na]+ 263.209388 164.5
[M-H]- 239.212894 163.8
[M+NH4]+ 258.253993 179.1
[M+K]+ 279.183328 163.3
[M+H-H2O]+ 223.217430 155.9
[M+HCOO]- 285.218371 179.3
[M+CH3COO]- 299.234021 198.1
[M+Na-2H]- 261.194836 162.7
[M]+ 240.21962142 159.5
[M]- 240.22071858 159.5
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.