CID 4068968

4-(3-methylphenyl)pyrimidine

Structural Information

Molecular Formula

C₁₁H₁₀N₂

SMILES

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

InChI

InChI=1S/C11H10N2/c1-9-3-2-4-10(7-9)11-5-6-12-8-13-11/h2-8H,1H3

InChIKey

UWGWMSXXXGWLHI-UHFFFAOYSA-N

Compound name

4-(3-methylphenyl)pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 170.0844 Da
Monoisotopic Mass: 2.3
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]+	171.09168	135.7
[M+Na]+	193.07362	152.3
[M+NH4]+	188.11822	145.2
[M+K]+	209.04756	143.8
[M-H]-	169.07712	140.3
[M+Na-2H]-	191.05907	147.2
[M]+	170.08385	139.6
[M]-	170.08495	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe