CID 55298486

3-(chloromethyl)-2,4,6-trimethylpyridine hydrochloride

Structural Information

Molecular Formula
C9H12ClN
SMILES
CC1=CC(=NC(=C1CCl)C)C
InChI
InChI=1S/C9H12ClN/c1-6-4-7(2)11-8(3)9(6)5-10/h4H,5H2,1-3H3
InChIKey
PJDSUUZCWBPRBX-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-2,4,6-trimethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

169.06583 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.07311 133.1
[M+Na]+ 192.05505 148.9
[M+NH4]+ 187.09965 142.9
[M+K]+ 208.02899 140.8
[M-H]- 168.05855 136.0
[M+Na-2H]- 190.04050 141.1
[M]+ 169.06528 136.7
[M]- 169.06638 136.7
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