CID 105451072

4-cyclohexyl-4-methoxypiperidine hydrochloride

Structural Information

Molecular Formula

C₁₂H₂₃NO

SMILES

COC1(CCNCC1)C2CCCCC2

InChI

InChI=1S/C12H23NO/c1-14-12(7-9-13-10-8-12)11-5-3-2-4-6-11/h11,13H,2-10H2,1H3

InChIKey

CCHOGYYJCAJSDN-UHFFFAOYSA-N

Compound name

4-cyclohexyl-4-methoxypiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 197.17796 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]+	198.18524	150.0
[M+Na]+	220.16718	151.7
[M-H]-	196.17068	151.9
[M+NH4]+	215.21178	168.3
[M+K]+	236.14112	149.4
[M+H-H2O]+	180.17522	142.6
[M+HCOO]-	242.17616	163.7
[M+CH3COO]-	256.19181	179.8
[M+Na-2H]-	218.15263	153.4
[M]+	197.17741	140.0
[M]-	197.17851	140.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe