CID 50989222

Pyridine, 5-bromo-2-[2-(1,1-dimethylethoxy)ethoxy]-3-methoxy-

Structural Information

Molecular Formula
C12H18BrNO3
SMILES
CC(C)(C)OCCOC1=C(C=C(C=N1)Br)OC
InChI
InChI=1S/C12H18BrNO3/c1-12(2,3)17-6-5-16-11-10(15-4)7-9(13)8-14-11/h7-8H,5-6H2,1-4H3
InChIKey
MPSRRQWBBJHLDR-UHFFFAOYSA-N
Compound name
5-bromo-3-methoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.047 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.05428 160.7
[M+Na]+ 326.03622 172.0
[M-H]- 302.03972 165.8
[M+NH4]+ 321.08082 178.9
[M+K]+ 342.01016 162.1
[M+H-H2O]+ 286.04426 159.9
[M+HCOO]- 348.04520 179.6
[M+CH3COO]- 362.06085 200.3
[M+Na-2H]- 324.02167 167.6
[M]+ 303.04645 184.9
[M]- 303.04755 184.9
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.