CID 165643641

3-bromo-5-(but-3-yn-1-yl)pyridine

Structural Information

Molecular Formula
C9H8BrN
SMILES
C#CCCC1=CC(=CN=C1)Br
InChI
InChI=1S/C9H8BrN/c1-2-3-4-8-5-9(10)7-11-6-8/h1,5-7H,3-4H2
InChIKey
VUZKQQFHXFVDPU-UHFFFAOYSA-N
Compound name
3-bromo-5-but-3-ynylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.98401 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.991286 131.6
[M+Na]+ 231.973228 145.6
[M-H]- 207.976734 133.9
[M+NH4]+ 227.017833 150.6
[M+K]+ 247.947168 133.4
[M+H-H2O]+ 191.981270 125.4
[M+HCOO]- 253.982211 149.3
[M+CH3COO]- 267.997861 191.8
[M+Na-2H]- 229.958676 139.4
[M]+ 208.98346142 143.4
[M]- 208.98455858 143.4
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.