CID 71744193

5-(chloromethyl)-2,4-dimethoxypyridine

Structural Information

Molecular Formula
C8H10ClNO2
SMILES
COC1=CC(=NC=C1CCl)OC
InChI
InChI=1S/C8H10ClNO2/c1-11-7-3-8(12-2)10-5-6(7)4-9/h3,5H,4H2,1-2H3
InChIKey
QWHMZLQWSYQHCF-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-2,4-dimethoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.04001 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.047286 134.4
[M+Na]+ 210.029228 144.8
[M-H]- 186.032734 137.1
[M+NH4]+ 205.073833 154.3
[M+K]+ 226.003168 142.2
[M+H-H2O]+ 170.037270 128.9
[M+HCOO]- 232.038211 153.9
[M+CH3COO]- 246.053861 181.1
[M+Na-2H]- 208.014676 141.4
[M]+ 187.03946142 140.0
[M]- 187.04055858 140.0
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

No patent data available for this compound.