CID 21874527

2-(bromomethyl)-6-propylpyridine hydrobromide

Structural Information

Molecular Formula
C9H12BrN
SMILES
CCCC1=NC(=CC=C1)CBr
InChI
InChI=1S/C9H12BrN/c1-2-4-8-5-3-6-9(7-10)11-8/h3,5-6H,2,4,7H2,1H3
InChIKey
QJYGQKXCMTZKPG-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-6-propylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

213.0153 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.02258 137.6
[M+Na]+ 236.00452 149.2
[M-H]- 212.00802 142.6
[M+NH4]+ 231.04912 159.0
[M+K]+ 251.97846 138.3
[M+H-H2O]+ 196.01256 137.5
[M+HCOO]- 258.01350 158.5
[M+CH3COO]- 272.02915 185.6
[M+Na-2H]- 233.98997 146.3
[M]+ 213.01475 157.0
[M]- 213.01585 157.0
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