CID 98305

Phenyl(pyridin-4-yl)methanol

Structural Information

Molecular Formula
C12H11NO
SMILES
C1=CC=C(C=C1)C(C2=CC=NC=C2)O
InChI
InChI=1S/C12H11NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-9,12,14H
InChIKey
MYKGGGPMKINROD-UHFFFAOYSA-N
Compound name
phenyl(pyridin-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

41
Patents

185.08406 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.09134 140.0
[M+Na]+ 208.07328 154.9
[M+NH4]+ 203.11788 149.2
[M+K]+ 224.04722 147.4
[M-H]- 184.07678 144.2
[M+Na-2H]- 206.05873 150.5
[M]+ 185.08351 143.4
[M]- 185.08461 143.4
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