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]+ 188.04729 134.4
[M+Na]+ 210.02923 144.8
[M-H]- 186.03273 137.1
[M+NH4]+ 205.07383 154.3
[M+K]+ 226.00317 142.2
[M+H-H2O]+ 170.03727 128.9
[M+HCOO]- 232.03821 153.9
[M+CH3COO]- 246.05386 181.1
[M+Na-2H]- 208.01468 141.4
[M]+ 187.03946 140.0
[M]- 187.04056 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.