CID 11263510

3-(pyridin-3-yl)prop-2-yn-1-amine dihydrochloride

Structural Information

Molecular Formula
C8H8N2
SMILES
C1=CC(=CN=C1)C#CCN
InChI
InChI=1S/C8H8N2/c9-5-1-3-8-4-2-6-10-7-8/h2,4,6-7H,5,9H2
InChIKey
BGKUWZFWNZFRMO-UHFFFAOYSA-N
Compound name
3-pyridin-3-ylprop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

132.06874 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.076016 128.4
[M+Na]+ 155.057958 137.9
[M-H]- 131.061464 128.4
[M+NH4]+ 150.102563 146.1
[M+K]+ 171.031898 134.1
[M+H-H2O]+ 115.066000 115.8
[M+HCOO]- 177.066941 146.4
[M+CH3COO]- 191.082591 181.2
[M+Na-2H]- 153.043406 135.2
[M]+ 132.06819142 120.5
[M]- 132.06928858 120.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe