CID 10059799

3-bromo-5-(dimethoxymethyl)pyridine

Structural Information

Molecular Formula
C8H10BrNO2
SMILES
COC(C1=CC(=CN=C1)Br)OC
InChI
InChI=1S/C8H10BrNO2/c1-11-8(12-2)6-3-7(9)5-10-4-6/h3-5,8H,1-2H3
InChIKey
BNRIHZWATOCKDB-UHFFFAOYSA-N
Compound name
3-bromo-5-(dimethoxymethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

230.98949 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.996766 139.1
[M+Na]+ 253.978708 150.6
[M-H]- 229.982214 144.3
[M+NH4]+ 249.023313 159.6
[M+K]+ 269.952648 141.2
[M+H-H2O]+ 213.986750 138.7
[M+HCOO]- 275.987691 159.8
[M+CH3COO]- 290.003341 187.2
[M+Na-2H]- 251.964156 147.1
[M]+ 230.98894142 160.3
[M]- 230.99003858 160.3
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