CID 22367956

6-ethynylpyridine-3-carbaldehyde

Structural Information

Molecular Formula
C8H5NO
SMILES
C#CC1=NC=C(C=C1)C=O
InChI
InChI=1S/C8H5NO/c1-2-8-4-3-7(6-10)5-9-8/h1,3-6H
InChIKey
MTGHDMSHFPXRNT-UHFFFAOYSA-N
Compound name
6-ethynylpyridine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

131.03711 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.04439 126.2
[M+Na]+ 154.02633 139.8
[M+NH4]+ 149.07093 131.2
[M+K]+ 170.00027 130.1
[M-H]- 130.02983 119.9
[M+Na-2H]- 152.01178 130.9
[M]+ 131.03656 125.5
[M]- 131.03766 125.5
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