CID 186003

3-ethynylpyridine

Structural Information

Molecular Formula
C7H5N
SMILES
C#CC1=CN=CC=C1
InChI
InChI=1S/C7H5N/c1-2-7-4-3-5-8-6-7/h1,3-6H
InChIKey
CLRPXACRDTXENY-UHFFFAOYSA-N
Compound name
3-ethynylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3102
Patents

103.0422 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 104.04948 117.7
[M+Na]+ 126.03142 128.4
[M-H]- 102.03492 118.5
[M+NH4]+ 121.07602 136.9
[M+K]+ 142.00536 125.1
[M+H-H2O]+ 86.039460 105.7
[M+HCOO]- 148.04040 135.8
[M+CH3COO]- 162.05605 176.1
[M+Na-2H]- 124.01687 126.0
[M]+ 103.04165 111.4
[M]- 103.04275 111.4
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