CID 165708895

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

Structural Information

Molecular Formula
C8H8BrNO
SMILES
CC1=CC(=C(N=C1C)C=O)Br
InChI
InChI=1S/C8H8BrNO/c1-5-3-7(9)8(4-11)10-6(5)2/h3-4H,1-2H3
InChIKey
NALWXPNNLRTBPI-UHFFFAOYSA-N
Compound name
3-bromo-5,6-dimethylpyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.97893 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.986206 132.8
[M+Na]+ 235.968148 146.7
[M-H]- 211.971654 138.7
[M+NH4]+ 231.012753 154.6
[M+K]+ 251.942088 135.9
[M+H-H2O]+ 195.976190 133.0
[M+HCOO]- 257.977131 154.4
[M+CH3COO]- 271.992781 185.9
[M+Na-2H]- 233.953596 140.8
[M]+ 212.97838142 153.3
[M]- 212.97947858 153.3
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.