CID 59255139

[6-(benzyloxy)pyridin-3-yl]methanol

Structural Information

Molecular Formula
C13H13NO2
SMILES
C1=CC=C(C=C1)COC2=NC=C(C=C2)CO
InChI
InChI=1S/C13H13NO2/c15-9-12-6-7-13(14-8-12)16-10-11-4-2-1-3-5-11/h1-8,15H,9-10H2
InChIKey
YPIZJUMKFXIJQH-UHFFFAOYSA-N
Compound name
(6-phenylmethoxy-3-pyridinyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

32
Patents

215.09464 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.101916 146.5
[M+Na]+ 238.083858 154.0
[M-H]- 214.087364 150.5
[M+NH4]+ 233.128463 162.8
[M+K]+ 254.057798 150.3
[M+H-H2O]+ 198.091900 138.5
[M+HCOO]- 260.092841 168.8
[M+CH3COO]- 274.108491 184.3
[M+Na-2H]- 236.069306 154.0
[M]+ 215.09409142 147.0
[M]- 215.09518858 147.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe