CID 57285230

83799-54-6

Structural Information

Molecular Formula

C₁₂H₁₁ClN₂

SMILES

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

InChI

InChI=1S/C12H11ClN2/c1-9-2-4-14-11(6-9)12-7-10(8-13)3-5-15-12/h2-7H,8H2,1H3

InChIKey

UHTKTJKJDJOOKE-UHFFFAOYSA-N

Compound name

2-[4-(chloromethyl)pyridin-2-yl]-4-methylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 218.06108 Da
Monoisotopic Mass: 2.2
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]+	219.06836	146.3
[M+Na]+	241.05030	163.9
[M+NH4]+	236.09490	155.9
[M+K]+	257.02424	154.5
[M-H]-	217.05380	150.9
[M+Na-2H]-	239.03575	157.3
[M]+	218.06053	150.7
[M]-	218.06163	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe