CID 115197

Dimethyldioxirane

Structural Information

Molecular Formula
C3H6O2
SMILES
CC1(OO1)C
InChI
InChI=1S/C3H6O2/c1-3(2)4-5-3/h1-2H3
InChIKey
FFHWGQQFANVOHV-UHFFFAOYSA-N
Compound name
3,3-dimethyldioxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

127
References

8500
Patents

74.03678 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 75.044056 112.7
[M+Na]+ 97.025998 126.4
[M+NH4]+ 92.070603 123.7
[M+K]+ 112.99994 121.9
[M-H]- 73.029504 123.5
[M+Na-2H]- 95.011446 122.2
[M]+ 74.036231 119.1
[M]- 74.037329 119.1
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