CID 16724105

5-methyl-2-oxo-1,3-dioxane-5-carboxylic acid

Structural Information

Molecular Formula
C6H8O5
SMILES
CC1(COC(=O)OC1)C(=O)O
InChI
InChI=1S/C6H8O5/c1-6(4(7)8)2-10-5(9)11-3-6/h2-3H2,1H3,(H,7,8)
InChIKey
VVVXQWXJTSMUBY-UHFFFAOYSA-N
Compound name
5-methyl-2-oxo-1,3-dioxane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

190
Patents

160.03717 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.04445 129.6
[M+Na]+ 183.02639 139.5
[M+NH4]+ 178.07099 137.5
[M+K]+ 199.00033 135.4
[M-H]- 159.02989 131.4
[M+Na-2H]- 181.01184 133.5
[M]+ 160.03662 131.4
[M]- 160.03772 131.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe