CID 186078

1,4-dioxane-2,5-diol

Structural Information

Molecular Formula
C4H8O4
SMILES
C1C(OCC(O1)O)O
InChI
InChI=1S/C4H8O4/c5-3-1-7-4(6)2-8-3/h3-6H,1-2H2
InChIKey
ATFVTAOSZBVGHC-UHFFFAOYSA-N
Compound name
1,4-dioxane-2,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1413
Patents

120.04226 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.04954 119.9
[M+Na]+ 143.03148 130.2
[M+NH4]+ 138.07608 127.5
[M+K]+ 159.00542 127.4
[M-H]- 119.03498 122.5
[M+Na-2H]- 141.01693 123.1
[M]+ 120.04171 121.8
[M]- 120.04281 121.8
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

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