CID 153040

4-(pyridin-3-yl)phenol hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

235
Patents

171.06842 Da
Monoisotopic Mass

2.1
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

literature stripe

Patent stripe

patents stripe