CID 796726

5-benzyl-3-pyridinol

Structural Information

Molecular Formula
C12H11NO
SMILES
C1=CC=C(C=C1)CC2=CC(=CN=C2)O
InChI
InChI=1S/C12H11NO/c14-12-7-11(8-13-9-12)6-10-4-2-1-3-5-10/h1-5,7-9,14H,6H2
InChIKey
BBQJCGXVQMUHAR-UHFFFAOYSA-N
Compound name
5-benzylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

0
Patents

185.08406 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.09134 138.5
[M+Na]+ 208.07328 146.6
[M-H]- 184.07678 142.7
[M+NH4]+ 203.11788 156.2
[M+K]+ 224.04722 142.6
[M+H-H2O]+ 168.08132 131.1
[M+HCOO]- 230.08226 161.1
[M+CH3COO]- 244.09791 151.6
[M+Na-2H]- 206.05873 146.7
[M]+ 185.08351 137.4
[M]- 185.08461 137.4
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