CID 10707054

1-(6-chloro-3-pyridinyl)-2-((dimethylamino)methyl)cyclohexanol hydrochloride

Structural Information

Molecular Formula

C₁₄H₂₁ClN₂O

SMILES

CN(C)CC1CCCCC1(C2=CN=C(C=C2)Cl)O

InChI

InChI=1S/C14H21ClN2O/c1-17(2)10-12-5-3-4-8-14(12,18)11-6-7-13(15)16-9-11/h6-7,9,12,18H,3-5,8,10H2,1-2H3

InChIKey

XACXTIXNRHOMPK-UHFFFAOYSA-N

Compound name

1-(6-chloro-3-pyridinyl)-2-[(dimethylamino)methyl]cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 268.13425 Da
Monoisotopic Mass: 2.5
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]+	269.141526	161.4
[M+Na]+	291.123468	167.3
[M-H]-	267.126974	166.0
[M+NH4]+	286.168073	178.9
[M+K]+	307.097408	163.4
[M+H-H2O]+	251.131510	154.3
[M+HCOO]-	313.132451	175.9
[M+CH3COO]-	327.148101	198.9
[M+Na-2H]-	289.108916	164.9
[M]+	268.13370142	160.0
[M]-	268.13479858	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe