CID 201698

2-piperidinomethylcyclohexanol hydrochloride

Structural Information

Molecular Formula

C₁₂H₂₃NO

SMILES

C1CCN(CC1)CC2CCCCC2O

InChI

InChI=1S/C12H23NO/c14-12-7-3-2-6-11(12)10-13-8-4-1-5-9-13/h11-12,14H,1-10H2

InChIKey

FDGQAIQVFCVTRB-UHFFFAOYSA-N

Compound name

2-(piperidin-1-ylmethyl)cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.17796 Da
Monoisotopic Mass: 2.1
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	149.3
[M+Na]+	220.16718	150.9
[M-H]-	196.17068	151.1
[M+NH4]+	215.21178	165.8
[M+K]+	236.14112	148.4
[M+H-H2O]+	180.17522	141.6
[M+HCOO]-	242.17616	163.0
[M+CH3COO]-	256.19181	181.4
[M+Na-2H]-	218.15263	151.0
[M]+	197.17741	139.4
[M]-	197.17851	139.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe