CID 92166

2-methyl-2-vinyloxirane

Structural Information

Molecular Formula
C5H8O
SMILES
CC1(CO1)C=C
InChI
InChI=1S/C5H8O/c1-3-5(2)4-6-5/h3H,1,4H2,2H3
InChIKey
FVCDMHWSPLRYAB-UHFFFAOYSA-N
Compound name
2-ethenyl-2-methyloxirane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

10
References

2508
Patents

84.05752 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.064796 114.8
[M+Na]+ 107.046738 125.4
[M-H]- 83.050244 121.0
[M+NH4]+ 102.091343 134.7
[M+K]+ 123.020678 126.4
[M+H-H2O]+ 67.054780 110.6
[M+HCOO]- 129.055721 138.4
[M+CH3COO]- 143.071371 167.2
[M+Na-2H]- 105.032186 125.2
[M]+ 84.05697142 118.7
[M]- 84.05806858 118.7
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