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]+ 170.073106 132.3
[M+Na]+ 192.055048 143.4
[M-H]- 168.058554 135.2
[M+NH4]+ 187.099653 153.4
[M+K]+ 208.028988 139.6
[M+H-H2O]+ 152.063090 127.4
[M+HCOO]- 214.064031 151.0
[M+CH3COO]- 228.079681 181.3
[M+Na-2H]- 190.040496 138.2
[M]+ 169.06528142 135.8
[M]- 169.06637858 135.8
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