CID 57285230

4-(chloromethyl)-4'-methyl-2,2'-bipyridyl

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)-2-pyridinyl]-4-methylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

218.06108 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.068356 145.4
[M+Na]+ 241.050298 155.6
[M-H]- 217.053804 149.4
[M+NH4]+ 236.094903 162.2
[M+K]+ 257.024238 150.0
[M+H-H2O]+ 201.058340 137.3
[M+HCOO]- 263.059281 163.0
[M+CH3COO]- 277.074931 158.3
[M+Na-2H]- 239.035746 152.8
[M]+ 218.06053142 147.5
[M]- 218.06162858 147.5
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