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]+ 245.976046 138.2
[M+Na]+ 267.957988 151.8
[M-H]- 243.961494 144.0
[M+NH4]+ 263.002593 158.6
[M+K]+ 283.931928 141.9
[M+H-H2O]+ 227.966030 137.8
[M+HCOO]- 289.966971 160.1
[M+CH3COO]- 303.982621 189.7
[M+Na-2H]- 265.943436 146.1
[M]+ 244.96822142 161.3
[M]- 244.96931858 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.