CID 169683

Methylconiine

Structural Information

Molecular Formula

C₉H₁₉N

SMILES

CCC[C@H]1CCCCN1C

InChI

InChI=1S/C9H19N/c1-3-6-9-7-4-5-8-10(9)2/h9H,3-8H2,1-2H3/t9-/m0/s1

InChIKey

CUBHREGSQFAWDJ-VIFPVBQESA-N

Compound name

(2S)-1-methyl-2-propylpiperidine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 56
Patents: 141.15175 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	142.159026	133.8
[M+Na]+	164.140968	139.0
[M-H]-	140.144474	135.1
[M+NH4]+	159.185573	154.2
[M+K]+	180.114908	137.9
[M+H-H2O]+	124.149010	127.5
[M+HCOO]-	186.149951	152.6
[M+CH3COO]-	200.165601	176.3
[M+Na-2H]-	162.126416	138.3
[M]+	141.15120142	130.2
[M]-	141.15229858	130.2

Literature stripe

literature stripe

Patent stripe

patents stripe