CID 12661

Diketene

Structural Information

Molecular Formula
C4H4O2
SMILES
C=C1CC(=O)O1
InChI
InChI=1S/C4H4O2/c1-3-2-4(5)6-3/h1-2H2
InChIKey
WASQWSOJHCZDFK-UHFFFAOYSA-N
Compound name
4-methylideneoxetan-2-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

36
References

17126
Patents

84.021126 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.028402 110.4
[M+Na]+ 107.01034 117.8
[M+NH4]+ 102.05495 115.0
[M+K]+ 122.98428 115.2
[M-H]- 83.013850 109.8
[M+Na-2H]- 104.99579 113.2
[M]+ 84.020577 110.0
[M]- 84.021675 110.0
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