CID 79368

2,2,6-trimethyl-4h-1,3-dioxin-4-one

Structural Information

Molecular Formula
C7H10O3
SMILES
CC1=CC(=O)OC(O1)(C)C
InChI
InChI=1S/C7H10O3/c1-5-4-6(8)10-7(2,3)9-5/h4H,1-3H3
InChIKey
XFRBXZCBOYNMJP-UHFFFAOYSA-N
Compound name
2,2,6-trimethyl-1,3-dioxin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1337
Patents

142.06299 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.07027 125.4
[M+Na]+ 165.05221 138.3
[M+NH4]+ 160.09681 135.2
[M+K]+ 181.02615 132.0
[M-H]- 141.05571 129.6
[M+Na-2H]- 163.03766 131.9
[M]+ 142.06244 128.6
[M]- 142.06354 128.6
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