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

102
Patents

261.09204 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.09932 157.8
[M+Na]+ 284.08126 167.6
[M-H]- 260.08476 163.3
[M+NH4]+ 279.12586 174.6
[M+K]+ 300.05520 162.1
[M+H-H2O]+ 244.08930 150.3
[M+HCOO]- 306.09024 176.1
[M+CH3COO]- 320.10589 196.8
[M+Na-2H]- 282.06671 162.8
[M]+ 261.09149 162.4
[M]- 261.09259 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