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]+ 213.98621 132.8
[M+Na]+ 235.96815 146.7
[M-H]- 211.97165 138.7
[M+NH4]+ 231.01275 154.6
[M+K]+ 251.94209 135.9
[M+H-H2O]+ 195.97619 133.0
[M+HCOO]- 257.97713 154.4
[M+CH3COO]- 271.99278 185.9
[M+Na-2H]- 233.95360 140.8
[M]+ 212.97838 153.3
[M]- 212.97948 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.