CID 163343346

5-bromo-6-methoxy-4-methylpyridine-3-carbaldehyde

Structural Information

Molecular Formula
C8H8BrNO2
SMILES
CC1=C(C(=NC=C1C=O)OC)Br
InChI
InChI=1S/C8H8BrNO2/c1-5-6(4-11)3-10-8(12-2)7(5)9/h3-4H,1-2H3
InChIKey
RHLXKYBMEKSDHH-UHFFFAOYSA-N
Compound name
5-bromo-6-methoxy-4-methylpyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.97385 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.98113 135.6
[M+Na]+ 251.96307 149.4
[M-H]- 227.96657 141.5
[M+NH4]+ 247.00767 156.7
[M+K]+ 267.93701 139.0
[M+H-H2O]+ 211.97111 135.6
[M+HCOO]- 273.97205 157.3
[M+CH3COO]- 287.98770 187.7
[M+Na-2H]- 249.94852 143.5
[M]+ 228.97330 157.4
[M]- 228.97440 157.4
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.