CID 4180364

26776-70-5

Structural Information

Molecular Formula
C6H12O6
SMILES
C1C(OCC(O1)(CO)O)(CO)O
InChI
InChI=1S/C6H12O6/c7-1-5(9)3-12-6(10,2-8)4-11-5/h7-10H,1-4H2
InChIKey
KEQUNHIAUQQPAC-UHFFFAOYSA-N
Compound name
2,5-bis(hydroxymethyl)-1,4-dioxane-2,5-diol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

1398
Patents

180.06339 Da
Monoisotopic Mass

-3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.07067 134.3
[M+Na]+ 203.05261 140.7
[M-H]- 179.05611 134.0
[M+NH4]+ 198.09721 152.7
[M+K]+ 219.02655 142.1
[M+H-H2O]+ 163.06065 131.2
[M+HCOO]- 225.06159 148.7
[M+CH3COO]- 239.07724 167.0
[M+Na-2H]- 201.03806 143.4
[M]+ 180.06284 132.9
[M]- 180.06394 132.9
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.