CID 22113415

2-bromo-6-tert-butylpyridine

Structural Information

Molecular Formula
C9H12BrN
SMILES
CC(C)(C)C1=NC(=CC=C1)Br
InChI
InChI=1S/C9H12BrN/c1-9(2,3)7-5-4-6-8(10)11-7/h4-6H,1-3H3
InChIKey
QMVOIXCANJLTGO-UHFFFAOYSA-N
Compound name
2-bromo-6-tert-butylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

251
Patents

213.0153 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.02258 138.8
[M+Na]+ 236.00452 151.0
[M-H]- 212.00802 144.3
[M+NH4]+ 231.04912 160.5
[M+K]+ 251.97846 140.4
[M+H-H2O]+ 196.01256 139.4
[M+HCOO]- 258.01350 158.3
[M+CH3COO]- 272.02915 185.3
[M+Na-2H]- 233.98997 148.0
[M]+ 213.01475 157.8
[M]- 213.01585 157.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe