CID 13742925

2-(chloromethyl)-4,6-dimethylpyridine hydrochloride

Structural Information

Molecular Formula
C8H10ClN
SMILES
CC1=CC(=NC(=C1)CCl)C
InChI
InChI=1S/C8H10ClN/c1-6-3-7(2)10-8(4-6)5-9/h3-4H,5H2,1-2H3
InChIKey
VYEFLSRYAXMVDI-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-4,6-dimethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

155.05017 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.057446 128.3
[M+Na]+ 178.039388 138.8
[M-H]- 154.042894 130.9
[M+NH4]+ 173.083993 149.5
[M+K]+ 194.013328 135.2
[M+H-H2O]+ 138.047430 123.2
[M+HCOO]- 200.048371 147.2
[M+CH3COO]- 214.064021 177.1
[M+Na-2H]- 176.024836 135.4
[M]+ 155.04962142 131.0
[M]- 155.05071858 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

literature stripe

Patent stripe

patents stripe