CID 603599

4-(pyridin-2-ylmethyl)phenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

43
Patents

185.08406 Da
Monoisotopic Mass

2.5
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