CID 61257868

2-(benzyloxy)-3-(chloromethyl)-4,6-dimethylpyridine

Structural Information

Molecular Formula
C15H16ClNO
SMILES
CC1=CC(=NC(=C1CCl)OCC2=CC=CC=C2)C
InChI
InChI=1S/C15H16ClNO/c1-11-8-12(2)17-15(14(11)9-16)18-10-13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3
InChIKey
HRARFISHYLFDSY-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-4,6-dimethyl-2-phenylmethoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

261.09204 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.099316 157.8
[M+Na]+ 284.081258 167.6
[M-H]- 260.084764 163.3
[M+NH4]+ 279.125863 174.6
[M+K]+ 300.055198 162.1
[M+H-H2O]+ 244.089300 150.3
[M+HCOO]- 306.090241 176.1
[M+CH3COO]- 320.105891 196.8
[M+Na-2H]- 282.066706 162.8
[M]+ 261.09149142 162.4
[M]- 261.09258858 162.4
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