CID 5323927

2-(oxiran-2-yl)furan

Structural Information

Molecular Formula
C6H6O2
SMILES
C1C(O1)C2=CC=CO2
InChI
InChI=1S/C6H6O2/c1-2-5(7-3-1)6-4-8-6/h1-3,6H,4H2
InChIKey
SLPZDKCYRLRLED-UHFFFAOYSA-N
Compound name
2-(oxiran-2-yl)furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

110.03678 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.04406 115.5
[M+Na]+ 133.02600 126.2
[M-H]- 109.02950 124.9
[M+NH4]+ 128.07060 132.6
[M+K]+ 148.99994 127.5
[M+H-H2O]+ 93.034040 110.0
[M+HCOO]- 155.03498 140.3
[M+CH3COO]- 169.05063 169.0
[M+Na-2H]- 131.01145 125.5
[M]+ 110.03623 120.3
[M]- 110.03733 120.3
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