CID 140873443

Bioxetin

Structural Information

Molecular Formula
C6H6O2
SMILES
C1C=C(O1)C2=CCO2
InChI
InChI=1S/C6H6O2/c1-3-7-5(1)6-2-4-8-6/h1-2H,3-4H2
InChIKey
KXCHXOCGUHFHNG-UHFFFAOYSA-N
Compound name
4-(2H-oxet-4-yl)-2H-oxete
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

110.03678 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.04406 99.4
[M+Na]+ 133.02600 105.3
[M-H]- 109.02950 107.3
[M+NH4]+ 128.07060 106.6
[M+K]+ 148.99994 113.2
[M+H-H2O]+ 93.034040 86.1
[M+HCOO]- 155.03498 120.4
[M+CH3COO]- 169.05063 180.8
[M+Na-2H]- 131.01145 110.7
[M]+ 110.03623 118.0
[M]- 110.03733 118.0
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

No patent data available for this compound.