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

14
Patents

131.03711 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.044386 123.7
[M+Na]+ 154.026328 135.1
[M-H]- 130.029834 124.7
[M+NH4]+ 149.070933 142.1
[M+K]+ 170.000268 131.5
[M+H-H2O]+ 114.034370 111.6
[M+HCOO]- 176.035311 141.9
[M+CH3COO]- 190.050961 180.7
[M+Na-2H]- 152.011776 130.8
[M]+ 131.03656142 118.7
[M]- 131.03765858 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