CID 24729915

[6-(4-methoxyphenyl)pyridin-3-yl]methanol

Structural Information

Molecular Formula
C13H13NO2
SMILES
COC1=CC=C(C=C1)C2=NC=C(C=C2)CO
InChI
InChI=1S/C13H13NO2/c1-16-12-5-3-11(4-6-12)13-7-2-10(9-15)8-14-13/h2-8,15H,9H2,1H3
InChIKey
ALTSPZPVYXVOSW-UHFFFAOYSA-N
Compound name
[6-(4-methoxyphenyl)-3-pyridinyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

215.09464 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.101916 146.4
[M+Na]+ 238.083858 154.9
[M-H]- 214.087364 150.8
[M+NH4]+ 233.128463 163.1
[M+K]+ 254.057798 151.2
[M+H-H2O]+ 198.091900 138.7
[M+HCOO]- 260.092841 168.8
[M+CH3COO]- 274.108491 185.4
[M+Na-2H]- 236.069306 153.2
[M]+ 215.09409142 147.4
[M]- 215.09518858 147.4
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

patents stripe