CID 234839

Phenyl(pyridin-3-yl)methanol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

6
References

138
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 138.9
[M+Na]+ 208.07328 145.7
[M-H]- 184.07678 142.8
[M+NH4]+ 203.11788 156.1
[M+K]+ 224.04722 142.2
[M+H-H2O]+ 168.08132 131.4
[M+HCOO]- 230.08226 160.4
[M+CH3COO]- 244.09791 151.4
[M+Na-2H]- 206.05873 146.6
[M]+ 185.08351 136.7
[M]- 185.08461 136.7
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