CID 73881

2-ethenylfuran

Structural Information

Molecular Formula
C6H6O
SMILES
C=CC1=CC=CO1
InChI
InChI=1S/C6H6O/c1-2-6-4-3-5-7-6/h2-5H,1H2
InChIKey
QQBUHYQVKJQAOB-UHFFFAOYSA-N
Compound name
2-ethenylfuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

26
References

5224
Patents

94.04186 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 95.049136 113.7
[M+Na]+ 117.03108 122.7
[M-H]- 93.034584 118.3
[M+NH4]+ 112.07568 137.8
[M+K]+ 133.00502 122.8
[M+H-H2O]+ 77.039120 109.4
[M+HCOO]- 139.04006 139.5
[M+CH3COO]- 153.05571 163.5
[M+Na-2H]- 115.01653 122.4
[M]+ 94.041311 114.6
[M]- 94.042409 114.6
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