CID 135750112

2-(pyridin-4-yl)phenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

72
Patents

171.06842 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.075696 133.9
[M+Na]+ 194.057638 142.4
[M-H]- 170.061144 138.3
[M+NH4]+ 189.102243 152.1
[M+K]+ 210.031578 138.7
[M+H-H2O]+ 154.065680 126.7
[M+HCOO]- 216.066621 156.8
[M+CH3COO]- 230.082271 147.4
[M+Na-2H]- 192.043086 142.7
[M]+ 171.06787142 132.4
[M]- 171.06896858 132.4
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