CID 22238337

5-bromo-4-methylnicotinaldehyde

Structural Information

Molecular Formula
C7H6BrNO
SMILES
CC1=C(C=NC=C1C=O)Br
InChI
InChI=1S/C7H6BrNO/c1-5-6(4-10)2-9-3-7(5)8/h2-4H,1H3
InChIKey
VMKUWJPBSLTFMK-UHFFFAOYSA-N
Compound name
5-bromo-4-methylpyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

198.96329 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.97057 131.7
[M+Na]+ 221.95251 136.4
[M+NH4]+ 216.99711 136.7
[M+K]+ 237.92645 136.0
[M-H]- 197.95601 132.1
[M+Na-2H]- 219.93796 136.1
[M]+ 198.96274 131.3
[M]- 198.96384 131.3
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