CID 14275539

87133-52-6

Structural Information

Molecular Formula
C6H12O4
SMILES
C1[C@@H](OC[C@H](O1)CO)CO
InChI
InChI=1S/C6H12O4/c7-1-5-3-10-6(2-8)4-9-5/h5-8H,1-4H2/t5-,6+
InChIKey
WHRYYSSZMQDPLV-OLQVQODUSA-N
Compound name
[(2S,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

148.07356 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.08084 129.4
[M+Na]+ 171.06278 135.0
[M-H]- 147.06628 131.2
[M+NH4]+ 166.10738 146.7
[M+K]+ 187.03672 136.5
[M+H-H2O]+ 131.07082 124.4
[M+HCOO]- 193.07176 146.6
[M+CH3COO]- 207.08741 167.6
[M+Na-2H]- 169.04823 136.6
[M]+ 148.07301 127.7
[M]- 148.07411 127.7
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