CID 57416829

5-ethynylpyridine-2-carbaldehyde

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

131.03711 Da
Monoisotopic Mass

0.9
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

literature stripe

Patent stripe

patents stripe