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

12
Patents

229.01022 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.01750 141.7
[M+Na]+ 251.99944 153.7
[M-H]- 228.00294 147.1
[M+NH4]+ 247.04404 162.6
[M+K]+ 267.97338 143.5
[M+H-H2O]+ 212.00748 141.9
[M+HCOO]- 274.00842 161.3
[M+CH3COO]- 288.02407 187.7
[M+Na-2H]- 249.98489 150.9
[M]+ 229.00967 162.1
[M]- 229.01077 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