CID 13417094

3-(pyridin-2-yl)phenol

Structural Information

Molecular Formula
C11H9NO
SMILES
C1=CC=NC(=C1)C2=CC(=CC=C2)O
InChI
InChI=1S/C11H9NO/c13-10-5-3-4-9(8-10)11-6-1-2-7-12-11/h1-8,13H
InChIKey
UWDBMZOJTCSRGW-UHFFFAOYSA-N
Compound name
3-pyridin-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

228
Patents

171.06842 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.07570 135.1
[M+Na]+ 194.05764 150.9
[M+NH4]+ 189.10224 144.6
[M+K]+ 210.03158 143.1
[M-H]- 170.06114 139.6
[M+Na-2H]- 192.04309 146.0
[M]+ 171.06787 138.8
[M]- 171.06897 138.8
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

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