CID 13418081

5-(hydroxymethyl)-1,3-dioxane-5-carboxylic acid

Structural Information

Molecular Formula
C6H10O5
SMILES
C1C(COCO1)(CO)C(=O)O
InChI
InChI=1S/C6H10O5/c7-1-6(5(8)9)2-10-4-11-3-6/h7H,1-4H2,(H,8,9)
InChIKey
MJWFKZYEJAITEQ-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-1,3-dioxane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.05283 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.060106 130.7
[M+Na]+ 185.042048 136.3
[M-H]- 161.045554 132.6
[M+NH4]+ 180.086653 148.9
[M+K]+ 201.015988 138.5
[M+H-H2O]+ 145.050090 126.4
[M+HCOO]- 207.051031 147.3
[M+CH3COO]- 221.066681 168.4
[M+Na-2H]- 183.027496 138.7
[M]+ 162.05228142 129.1
[M]- 162.05337858 129.1
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

No patent data available for this compound.