CID 20079661

5-ethynylfuran-2-carbaldehyde

Structural Information

Molecular Formula
C7H4O2
SMILES
C#CC1=CC=C(O1)C=O
InChI
InChI=1S/C7H4O2/c1-2-6-3-4-7(5-8)9-6/h1,3-5H
InChIKey
GLKRAHZOHLVTTM-UHFFFAOYSA-N
Compound name
5-ethynylfuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

120.021126 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.02840 119.4
[M+Na]+ 143.01034 131.6
[M-H]- 119.01385 122.6
[M+NH4]+ 138.05495 140.0
[M+K]+ 158.98428 129.5
[M+H-H2O]+ 103.01839 108.6
[M+HCOO]- 165.01933 139.3
[M+CH3COO]- 179.03498 177.5
[M+Na-2H]- 140.99579 126.0
[M]+ 120.02058 116.3
[M]- 120.02167 116.3
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