CID 55303501

2551116-48-2

Structural Information

Molecular Formula
C8H10ClN
SMILES
CC1=CC(=NC=C1CCl)C
InChI
InChI=1S/C8H10ClN/c1-6-3-7(2)10-5-8(6)4-9/h3,5H,4H2,1-2H3
InChIKey
WHMJNCNCWTYNLV-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-2,4-dimethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

155.05017 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.05745 128.8
[M+Na]+ 178.03939 144.4
[M+NH4]+ 173.08399 138.7
[M+K]+ 194.01333 136.3
[M-H]- 154.04289 131.6
[M+Na-2H]- 176.02484 137.2
[M]+ 155.04962 132.3
[M]- 155.05072 132.3
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