CID 45788479

1142197-19-0

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

213.0153 Da
Monoisotopic Mass

3.5
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

No literature data available for this compound.

Patent stripe

patents stripe