CID 15393920

2,5-diethynylpyridine

Structural Information

Molecular Formula
C9H5N
SMILES
C#CC1=CN=C(C=C1)C#C
InChI
InChI=1S/C9H5N/c1-3-8-5-6-9(4-2)10-7-8/h1-2,5-7H
InChIKey
XTNNSWWCUMBUHY-UHFFFAOYSA-N
Compound name
2,5-diethynylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

34
Patents

127.0422 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.04948 153.1
[M+Na]+ 150.03142 163.4
[M+NH4]+ 145.07602 154.4
[M+K]+ 166.00536 152.6
[M-H]- 126.03492 142.5
[M+Na-2H]- 148.01687 153.4
[M]+ 127.04165 150.4
[M]- 127.04275 150.4
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