CID 74892255

2-ethynylpyridine-4-carbaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
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 123.7
[M+Na]+ 154.02633 135.1
[M-H]- 130.02983 124.7
[M+NH4]+ 149.07093 142.1
[M+K]+ 170.00027 131.5
[M+H-H2O]+ 114.03437 111.6
[M+HCOO]- 176.03531 141.9
[M+CH3COO]- 190.05096 180.7
[M+Na-2H]- 152.01178 130.8
[M]+ 131.03656 118.7
[M]- 131.03766 118.7
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