CID 178199933

2-bromo-3-(methoxymethoxy)pyridin-4-ol

Structural Information

Molecular Formula
C7H8BrNO3
SMILES
COCOC1=C(NC=CC1=O)Br
InChI
InChI=1S/C7H8BrNO3/c1-11-4-12-6-5(10)2-3-9-7(6)8/h2-3H,4H2,1H3,(H,9,10)
InChIKey
GMGMKHIHHBOKPX-UHFFFAOYSA-N
Compound name
2-bromo-3-(methoxymethoxy)-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.96877 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.97605 135.7
[M+Na]+ 255.95799 148.4
[M-H]- 231.96149 140.0
[M+NH4]+ 251.00259 155.6
[M+K]+ 271.93193 137.8
[M+H-H2O]+ 215.96603 135.5
[M+HCOO]- 277.96697 156.5
[M+CH3COO]- 291.98262 183.4
[M+Na-2H]- 253.94344 144.2
[M]+ 232.96822 156.4
[M]- 232.96932 156.4
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.