CID 3076609

3-chloro-alpha-((3-pyridinylmethoxy)methyl)benzenemethanol hydrochloride

Structural Information

Molecular Formula

C₁₄H₁₄ClNO₂

SMILES

C1=CC(=CC(=C1)Cl)C(COCC2=CN=CC=C2)O

InChI

InChI=1S/C14H14ClNO2/c15-13-5-1-4-12(7-13)14(17)10-18-9-11-3-2-6-16-8-11/h1-8,14,17H,9-10H2

InChIKey

YLDWUSWSCNLXFV-UHFFFAOYSA-N

Compound name

1-(3-chlorophenyl)-2-(pyridin-3-ylmethoxy)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 263.07132 Da
Monoisotopic Mass: 2.0
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]+	264.078596	156.6
[M+Na]+	286.060538	164.1
[M-H]-	262.064044	160.2
[M+NH4]+	281.105143	171.7
[M+K]+	302.034478	158.9
[M+H-H2O]+	246.068580	149.1
[M+HCOO]-	308.069521	173.0
[M+CH3COO]-	322.085171	191.8
[M+Na-2H]-	284.045986	161.9
[M]+	263.07077142	159.0
[M]-	263.07186858	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.