CID 13979730

3-(5-bromopyridin-2-yl)prop-2-yn-1-ol

Structural Information

Molecular Formula
C8H6BrNO
SMILES
C1=CC(=NC=C1Br)C#CCO
InChI
InChI=1S/C8H6BrNO/c9-7-3-4-8(10-6-7)2-1-5-11/h3-4,6,11H,5H2
InChIKey
HDNAKCCUGDNOSZ-UHFFFAOYSA-N
Compound name
3-(5-bromopyridin-2-yl)prop-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

120
Patents

210.96329 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.97057 137.9
[M+Na]+ 233.95251 142.3
[M+NH4]+ 228.99711 139.8
[M+K]+ 249.92645 138.8
[M-H]- 209.95601 131.1
[M+Na-2H]- 231.93796 139.3
[M]+ 210.96274 134.8
[M]- 210.96384 134.8
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