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

2
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 128.3
[M+Na]+ 178.03939 138.8
[M-H]- 154.04289 130.9
[M+NH4]+ 173.08399 149.5
[M+K]+ 194.01333 135.2
[M+H-H2O]+ 138.04743 123.2
[M+HCOO]- 200.04837 147.2
[M+CH3COO]- 214.06402 177.1
[M+Na-2H]- 176.02484 135.4
[M]+ 155.04962 131.0
[M]- 155.05072 131.0
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