CID 122029

1,2-dioxetane

Structural Information

Molecular Formula
C2H4O2
SMILES
C1COO1
InChI
InChI=1S/C2H4O2/c1-2-4-3-1/h1-2H2
InChIKey
BVTJGGGYKAMDBN-UHFFFAOYSA-N
Compound name
dioxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

90
References

79341
Patents

60.02113 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 61.028406 96.6
[M+Na]+ 83.010348 102.9
[M-H]- 59.013854 101.7
[M+NH4]+ 78.054953 112.2
[M+K]+ 98.984288 109.7
[M+H-H2O]+ 43.018390 87.8
[M+HCOO]- 105.01933 118.9
[M+CH3COO]- 119.03498 160.1
[M+Na-2H]- 80.995796 109.1
[M]+ 60.020581 105.9
[M]- 60.021679 105.9
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