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

19
Patents

185.06075 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.068026 135.6
[M+Na]+ 208.049968 146.6
[M-H]- 184.053474 138.5
[M+NH4]+ 203.094573 155.9
[M+K]+ 224.023908 143.3
[M+H-H2O]+ 168.058010 130.4
[M+HCOO]- 230.058951 154.5
[M+CH3COO]- 244.074601 183.3
[M+Na-2H]- 206.035416 141.4
[M]+ 185.06020142 140.5
[M]- 185.06129858 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