CID 105487409

5-bromo-2-methoxy-6-methylpyridine-3-carbaldehyde

Structural Information

Molecular Formula
C8H8BrNO2
SMILES
CC1=C(C=C(C(=N1)OC)C=O)Br
InChI
InChI=1S/C8H8BrNO2/c1-5-7(9)3-6(4-11)8(10-5)12-2/h3-4H,1-2H3
InChIKey
DMLIBWJCOQNJMU-UHFFFAOYSA-N
Compound name
5-bromo-2-methoxy-6-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]+ 229.981126 135.6
[M+Na]+ 251.963068 149.4
[M-H]- 227.966574 141.5
[M+NH4]+ 247.007673 156.7
[M+K]+ 267.937008 139.0
[M+H-H2O]+ 211.971110 135.6
[M+HCOO]- 273.972051 157.3
[M+CH3COO]- 287.987701 187.7
[M+Na-2H]- 249.948516 143.5
[M]+ 228.97330142 157.4
[M]- 228.97439858 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.