CID 67511

3,6-dioxabicyclo[3.1.0]hexane

Structural Information

Molecular Formula
C4H6O2
SMILES
C1C2C(O2)CO1
InChI
InChI=1S/C4H6O2/c1-3-4(6-3)2-5-1/h3-4H,1-2H2
InChIKey
AIUTZIYTEUMXGG-UHFFFAOYSA-N
Compound name
3,6-dioxabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1331
Patents

86.03678 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.044056 112.0
[M+Na]+ 109.02600 122.6
[M-H]- 85.029504 119.0
[M+NH4]+ 104.07060 131.1
[M+K]+ 124.99994 124.1
[M+H-H2O]+ 69.034040 107.3
[M+HCOO]- 131.03498 134.0
[M+CH3COO]- 145.05063 165.4
[M+Na-2H]- 107.01145 122.5
[M]+ 86.036231 115.9
[M]- 86.037329 115.9
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