CID 115390

Piperidinol, 1-butyl-4-cyclohexyl-, hydrochloride

Structural Information

Molecular Formula

C₁₂H₂₃NO

SMILES

CN1CCC(CC1)(C2CCCCC2)O

InChI

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

InChIKey

BTPYUMGLCZLDHO-UHFFFAOYSA-N

Compound name

4-cyclohexyl-1-methylpiperidin-4-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 197.17796 Da
Monoisotopic Mass: 2.3
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	149.6
[M+Na]+	220.16718	152.3
[M-H]-	196.17068	151.9
[M+NH4]+	215.21178	168.3
[M+K]+	236.14112	150.0
[M+H-H2O]+	180.17522	142.5
[M+HCOO]-	242.17616	163.3
[M+CH3COO]-	256.19181	180.9
[M+Na-2H]-	218.15263	152.3
[M]+	197.17741	140.1
[M]-	197.17851	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe