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-phenylmethoxypyridin-3-yl)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]+ 216.10192 146.5
[M+Na]+ 238.08386 154.0
[M-H]- 214.08736 150.5
[M+NH4]+ 233.12846 162.8
[M+K]+ 254.05780 150.3
[M+H-H2O]+ 198.09190 138.5
[M+HCOO]- 260.09284 168.8
[M+CH3COO]- 274.10849 184.3
[M+Na-2H]- 236.06931 154.0
[M]+ 215.09409 147.0
[M]- 215.09519 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