CID 119081986

4-bromo-3,5-diethylpyridine

Structural Information

Molecular Formula
C9H12BrN
SMILES
CCC1=CN=CC(=C1Br)CC
InChI
InChI=1S/C9H12BrN/c1-3-7-5-11-6-8(4-2)9(7)10/h5-6H,3-4H2,1-2H3
InChIKey
CYTXJCSVUCPZEH-UHFFFAOYSA-N
Compound name
4-bromo-3,5-diethylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.0153 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.02258 136.9
[M+Na]+ 236.00452 149.5
[M-H]- 212.00802 142.3
[M+NH4]+ 231.04912 158.7
[M+K]+ 251.97846 138.5
[M+H-H2O]+ 196.01256 137.0
[M+HCOO]- 258.01350 157.9
[M+CH3COO]- 272.02915 186.6
[M+Na-2H]- 233.98997 145.0
[M]+ 213.01475 156.8
[M]- 213.01585 156.8
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

No patent data available for this compound.