CID 12405415

3,5-diethynylpyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

37
Patents

127.0422 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.04948 138.5
[M+Na]+ 150.03142 149.5
[M-H]- 126.03492 139.5
[M+NH4]+ 145.07602 151.9
[M+K]+ 166.00536 144.7
[M+H-H2O]+ 110.03946 124.0
[M+HCOO]- 172.04040 148.0
[M+CH3COO]- 186.05605 202.3
[M+Na-2H]- 148.01687 141.8
[M]+ 127.04165 129.5
[M]- 127.04275 129.5
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