CID 112694613

2-(bromomethyl)-4-methoxypyridine hydrobromide

Structural Information

Molecular Formula
C7H8BrNO
SMILES
COC1=CC(=NC=C1)CBr
InChI
InChI=1S/C7H8BrNO/c1-10-7-2-3-9-6(4-7)5-8/h2-4H,5H2,1H3
InChIKey
OETPLZMWEOJJQW-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-4-methoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

200.97893 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.98621 131.2
[M+Na]+ 223.96815 143.5
[M-H]- 199.97165 136.5
[M+NH4]+ 219.01275 153.0
[M+K]+ 239.94209 133.6
[M+H-H2O]+ 183.97619 131.2
[M+HCOO]- 245.97713 152.9
[M+CH3COO]- 259.99278 181.7
[M+Na-2H]- 221.95360 140.9
[M]+ 200.97838 151.3
[M]- 200.97948 151.3
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