CID 20514249

4-(4-methylpyridin-3-yl)phenol

Structural Information

Molecular Formula
C12H11NO
SMILES
CC1=C(C=NC=C1)C2=CC=C(C=C2)O
InChI
InChI=1S/C12H11NO/c1-9-6-7-13-8-12(9)10-2-4-11(14)5-3-10/h2-8,14H,1H3
InChIKey
OHKVMBRWSSRDAP-UHFFFAOYSA-N
Compound name
4-(4-methylpyridin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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 138.4
[M+Na]+ 208.07328 147.4
[M-H]- 184.07678 143.0
[M+NH4]+ 203.11788 156.4
[M+K]+ 224.04722 143.5
[M+H-H2O]+ 168.08132 131.2
[M+HCOO]- 230.08226 160.9
[M+CH3COO]- 244.09791 180.3
[M+Na-2H]- 206.05873 145.8
[M]+ 185.08351 137.7
[M]- 185.08461 137.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe