CID 77026

4-methyl-2-phenylpyridine

Structural Information

Molecular Formula

C₁₂H₁₁N

SMILES

CC1=CC(=NC=C1)C2=CC=CC=C2

InChI

InChI=1S/C12H11N/c1-10-7-8-13-12(9-10)11-5-3-2-4-6-11/h2-9H,1H3

InChIKey

WWMRJCUZPJJWBC-UHFFFAOYSA-N

Compound name

4-methyl-2-phenylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 681
Patents: 169.08914 Da
Monoisotopic Mass: 2.9
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]+	170.096416	134.4
[M+Na]+	192.078358	143.0
[M-H]-	168.081864	140.0
[M+NH4]+	187.122963	153.5
[M+K]+	208.052298	139.4
[M+H-H2O]+	152.086400	126.9
[M+HCOO]-	214.087341	158.2
[M+CH3COO]-	228.102991	148.3
[M+Na-2H]-	190.063806	143.2
[M]+	169.08859142	133.7
[M]-	169.08968858	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe