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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.07860 157.8
[M+Na]+ 286.06054 173.0
[M+NH4]+ 281.10514 166.3
[M+K]+ 302.03448 164.9
[M-H]- 262.06404 161.5
[M+Na-2H]- 284.04599 167.1
[M]+ 263.07077 161.4
[M]- 263.07187 161.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.