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

12
Patents

230.98949 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.99677 139.1
[M+Na]+ 253.97871 150.6
[M-H]- 229.98221 144.3
[M+NH4]+ 249.02331 159.6
[M+K]+ 269.95265 141.2
[M+H-H2O]+ 213.98675 138.7
[M+HCOO]- 275.98769 159.8
[M+CH3COO]- 290.00334 187.2
[M+Na-2H]- 251.96416 147.1
[M]+ 230.98894 160.3
[M]- 230.99004 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