CID 504288

3-[4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]propane-1,2-diol

Structural Information

Molecular Formula
C9H18O5
SMILES
CC1(OCC(O1)(CC(CO)O)CO)C
InChI
InChI=1S/C9H18O5/c1-8(2)13-6-9(5-11,14-8)3-7(12)4-10/h7,10-12H,3-6H2,1-2H3
InChIKey
GMIRDBQPODKBHV-UHFFFAOYSA-N
Compound name
3-[4-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

206.11542 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.12270 143.6
[M+Na]+ 229.10464 149.8
[M-H]- 205.10814 144.3
[M+NH4]+ 224.14924 163.5
[M+K]+ 245.07858 151.0
[M+H-H2O]+ 189.11268 141.1
[M+HCOO]- 251.11362 159.5
[M+CH3COO]- 265.12927 176.4
[M+Na-2H]- 227.09009 149.3
[M]+ 206.11487 144.8
[M]- 206.11597 144.8
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

No patent data available for this compound.