CID 11971048

88848-45-7

Structural Information

Molecular Formula
C11H22O7
SMILES
C1C(COCO1)(CO)COCC(CO)(CO)CO
InChI
InChI=1S/C11H22O7/c12-1-10(2-13,3-14)5-16-6-11(4-15)7-17-9-18-8-11/h12-15H,1-9H2
InChIKey
RFMRTKNDQKLJJS-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-2-[[5-(hydroxymethyl)-1,3-dioxan-5-yl]methoxymethyl]propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

266.13657 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.143846 159.2
[M+Na]+ 289.125788 161.7
[M-H]- 265.129294 157.3
[M+NH4]+ 284.170393 171.7
[M+K]+ 305.099728 162.8
[M+H-H2O]+ 249.133830 154.3
[M+HCOO]- 311.134771 170.7
[M+CH3COO]- 325.150421 183.7
[M+Na-2H]- 287.111236 166.3
[M]+ 266.13602142 159.6
[M]- 266.13711858 159.6
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