CID 61257874

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

Structural Information

Molecular Formula
C9H12ClNO
SMILES
CC1=CC(=NC(=C1CCl)OC)C
InChI
InChI=1S/C9H12ClNO/c1-6-4-7(2)11-9(12-3)8(6)5-10/h4H,5H2,1-3H3
InChIKey
KMYOXZVMTBCJAT-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-2-methoxy-4,6-dimethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

185.06075 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.06803 135.6
[M+Na]+ 208.04997 146.6
[M-H]- 184.05347 138.5
[M+NH4]+ 203.09457 155.9
[M+K]+ 224.02391 143.3
[M+H-H2O]+ 168.05801 130.4
[M+HCOO]- 230.05895 154.5
[M+CH3COO]- 244.07460 183.3
[M+Na-2H]- 206.03542 141.4
[M]+ 185.06020 140.5
[M]- 185.06130 140.5
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