CID 58355080

4-bromo-2-(methoxymethyl)pyridine

Structural Information

Molecular Formula
C7H8BrNO
SMILES
COCC1=NC=CC(=C1)Br
InChI
InChI=1S/C7H8BrNO/c1-10-5-7-4-6(8)2-3-9-7/h2-4H,5H2,1H3
InChIKey
ZORPPTKICHKCHP-UHFFFAOYSA-N
Compound name
4-bromo-2-(methoxymethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

200.97893 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.986206 131.2
[M+Na]+ 223.968148 143.5
[M-H]- 199.971654 136.5
[M+NH4]+ 219.012753 153.0
[M+K]+ 239.942088 133.6
[M+H-H2O]+ 183.976190 131.2
[M+HCOO]- 245.977131 152.9
[M+CH3COO]- 259.992781 181.7
[M+Na-2H]- 221.953596 140.9
[M]+ 200.97838142 151.3
[M]- 200.97947858 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

literature stripe

Patent stripe

patents stripe