CID 114612

Cis-2,3-divinyloxirane

Structural Information

Molecular Formula
C6H8O
SMILES
C=C[C@@H]1[C@@H](O1)C=C
InChI
InChI=1S/C6H8O/c1-3-5-6(4-2)7-5/h3-6H,1-2H2/t5-,6+
InChIKey
WVLXAFYCRVAZSM-OLQVQODUSA-N
Compound name
(2S,3R)-2,3-bis(ethenyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

96.05752 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.064796 117.5
[M+Na]+ 119.046738 128.2
[M-H]- 95.050244 123.5
[M+NH4]+ 114.091343 135.2
[M+K]+ 135.020678 127.3
[M+H-H2O]+ 79.054780 112.2
[M+HCOO]- 141.055721 141.2
[M+CH3COO]- 155.071371 170.7
[M+Na-2H]- 117.032186 125.7
[M]+ 96.05697142 121.0
[M]- 96.05806858 121.0
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