CID 13157035

2,2-dimethyl-4h-1,3-dioxin-4-one

Structural Information

Molecular Formula
C6H8O3
SMILES
CC1(OC=CC(=O)O1)C
InChI
InChI=1S/C6H8O3/c1-6(2)8-4-3-5(7)9-6/h3-4H,1-2H3
InChIKey
UVISGHACCLJRBS-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1,3-dioxin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

128.04735 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.05463 121.6
[M+Na]+ 151.03657 134.3
[M+NH4]+ 146.08117 131.6
[M+K]+ 167.01051 128.0
[M-H]- 127.04007 125.8
[M+Na-2H]- 149.02202 128.5
[M]+ 128.04680 124.8
[M]- 128.04790 124.8
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