CID 135410177

4-(pyridin-4-yl)phenol

Structural Information

Molecular Formula
C11H9NO
SMILES
C1=CC(=CC=C1C2=CC=NC=C2)O
InChI
InChI=1S/C11H9NO/c13-11-3-1-9(2-4-11)10-5-7-12-8-6-10/h1-8,13H
InChIKey
DANMQSWQAGVFKV-UHFFFAOYSA-N
Compound name
4-pyridin-4-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

236
Patents

171.06842 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.07570 133.9
[M+Na]+ 194.05764 142.4
[M-H]- 170.06114 138.3
[M+NH4]+ 189.10224 152.1
[M+K]+ 210.03158 138.7
[M+H-H2O]+ 154.06568 126.7
[M+HCOO]- 216.06662 156.8
[M+CH3COO]- 230.08227 147.4
[M+Na-2H]- 192.04309 142.7
[M]+ 171.06787 132.4
[M]- 171.06897 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

No literature data available for this compound.

Patent stripe

patents stripe