CID 136002819

2-methyl-4-(pyridin-2-yl)phenol

Structural Information

Molecular Formula

C₁₂H₁₁NO

SMILES

CC1=C(C=CC(=C1)C2=CC=CC=N2)O

InChI

InChI=1S/C12H11NO/c1-9-8-10(5-6-12(9)14)11-4-2-3-7-13-11/h2-8,14H,1H3

InChIKey

VUBUTQBNEHUTFM-UHFFFAOYSA-N

Compound name

2-methyl-4-pyridin-2-ylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 185.08406 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe