CID 124706325

5-bromo-2,6-dimethoxypyridine-3-carbaldehyde

Structural Information

Molecular Formula
C8H8BrNO3
SMILES
COC1=C(C=C(C(=N1)OC)C=O)Br
InChI
InChI=1S/C8H8BrNO3/c1-12-7-5(4-11)3-6(9)8(10-7)13-2/h3-4H,1-2H3
InChIKey
PXGQJVSZKYEKNP-UHFFFAOYSA-N
Compound name
5-bromo-2,6-dimethoxypyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.96877 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.97605 138.2
[M+Na]+ 267.95799 151.8
[M-H]- 243.96149 144.0
[M+NH4]+ 263.00259 158.6
[M+K]+ 283.93193 141.9
[M+H-H2O]+ 227.96603 137.8
[M+HCOO]- 289.96697 160.1
[M+CH3COO]- 303.98262 189.7
[M+Na-2H]- 265.94344 146.1
[M]+ 244.96822 161.3
[M]- 244.96932 161.3
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

No patent data available for this compound.