CID 11241381

3-bromo-6-methoxy-2,4-dimethylpyridine

Structural Information

Molecular Formula
C8H10BrNO
SMILES
CC1=CC(=NC(=C1Br)C)OC
InChI
InChI=1S/C8H10BrNO/c1-5-4-7(11-3)10-6(2)8(5)9/h4H,1-3H3
InChIKey
SZDHVOMPLABLPW-UHFFFAOYSA-N
Compound name
3-bromo-6-methoxy-2,4-dimethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

214.99458 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.001856 134.5
[M+Na]+ 237.983798 148.2
[M-H]- 213.987304 140.4
[M+NH4]+ 233.028403 156.4
[M+K]+ 253.957738 137.9
[M+H-H2O]+ 197.991840 134.7
[M+HCOO]- 259.992781 155.9
[M+CH3COO]- 274.008431 186.7
[M+Na-2H]- 235.969246 142.4
[M]+ 214.99403142 155.7
[M]- 214.99512858 155.7
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