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: 44
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]+	142.15903	133.7
[M+Na]+	164.14097	145.1
[M+NH4]+	159.18557	143.0
[M+K]+	180.11491	138.0
[M-H]-	140.14447	135.9
[M+Na-2H]-	162.12642	139.1
[M]+	141.15120	135.8
[M]-	141.15230	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe