CID 407323

4-octylpiperidine hydrochloride

Structural Information

Molecular Formula

C₁₃H₂₇N

SMILES

CCCCCCCCC1CCNCC1

InChI

InChI=1S/C13H27N/c1-2-3-4-5-6-7-8-13-9-11-14-12-10-13/h13-14H,2-12H2,1H3

InChIKey

MCHXXEIRIXBHKI-UHFFFAOYSA-N

Compound name

4-octylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 197.21436 Da
Monoisotopic Mass: 4.9
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]+	198.221636	152.9
[M+Na]+	220.203578	155.0
[M-H]-	196.207084	151.6
[M+NH4]+	215.248183	170.0
[M+K]+	236.177518	151.9
[M+H-H2O]+	180.211620	145.8
[M+HCOO]-	242.212561	168.9
[M+CH3COO]-	256.228211	184.6
[M+Na-2H]-	218.189026	155.4
[M]+	197.21381142	148.5
[M]-	197.21490858	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe