CID 11105310

3-ethynylfuran

Structural Information

Molecular Formula
C6H4O
SMILES
C#CC1=COC=C1
InChI
InChI=1S/C6H4O/c1-2-6-3-4-7-5-6/h1,3-5H
InChIKey
BTDQYXZCWSUPOK-UHFFFAOYSA-N
Compound name
3-ethynylfuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

121
Patents

92.026215 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 93.033491 113.6
[M+Na]+ 115.01543 125.1
[M-H]- 91.018939 116.5
[M+NH4]+ 110.06004 135.0
[M+K]+ 130.98937 123.3
[M+H-H2O]+ 75.023475 102.8
[M+HCOO]- 137.02442 133.3
[M+CH3COO]- 151.04007 172.8
[M+Na-2H]- 113.00088 121.3
[M]+ 92.025666 109.2
[M]- 92.026764 109.2
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