CID 18632

2,3-epoxybutane

Structural Information

Molecular Formula
C4H8O
SMILES
CC1C(O1)C
InChI
InChI=1S/C4H8O/c1-3-4(2)5-3/h3-4H,1-2H3
InChIKey
PQXKWPLDPFFDJP-UHFFFAOYSA-N
Compound name
2,3-dimethyloxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

23
References

46731
Patents

72.05752 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 73.064796 111.0
[M+Na]+ 95.046738 124.7
[M+NH4]+ 90.091343 121.0
[M+K]+ 111.02068 121.0
[M-H]- 71.050244 120.8
[M+Na-2H]- 93.032186 119.5
[M]+ 72.056971 116.8
[M]- 72.058069 116.8
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