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

63
Patents

214.99458 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.00186 134.5
[M+Na]+ 237.98380 148.2
[M-H]- 213.98730 140.4
[M+NH4]+ 233.02840 156.4
[M+K]+ 253.95774 137.9
[M+H-H2O]+ 197.99184 134.7
[M+HCOO]- 259.99278 155.9
[M+CH3COO]- 274.00843 186.7
[M+Na-2H]- 235.96925 142.4
[M]+ 214.99403 155.7
[M]- 214.99513 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