CID 90103602

2-bromo-6-(2-methoxypropan-2-yl)pyridine

Structural Information

Molecular Formula
C9H12BrNO
SMILES
CC(C)(C1=NC(=CC=C1)Br)OC
InChI
InChI=1S/C9H12BrNO/c1-9(2,12-3)7-5-4-6-8(10)11-7/h4-6H,1-3H3
InChIKey
UQRZDGPZGJPDJX-UHFFFAOYSA-N
Compound name
2-bromo-6-(2-methoxypropan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

229.01022 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.017496 141.7
[M+Na]+ 251.999438 153.7
[M-H]- 228.002944 147.1
[M+NH4]+ 247.044043 162.6
[M+K]+ 267.973378 143.5
[M+H-H2O]+ 212.007480 141.9
[M+HCOO]- 274.008421 161.3
[M+CH3COO]- 288.024071 187.7
[M+Na-2H]- 249.984886 150.9
[M]+ 229.00967142 162.1
[M]- 229.01076858 162.1
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