CID 122163903

3-[5-(1,3-dioxolan-2-yl)oxolan-2-yl]propanoic acid

Structural Information

Molecular Formula
C10H16O5
SMILES
C1CC(OC1CCC(=O)O)C2OCCO2
InChI
InChI=1S/C10H16O5/c11-9(12)4-2-7-1-3-8(15-7)10-13-5-6-14-10/h7-8,10H,1-6H2,(H,11,12)
InChIKey
HFTRFHJVDTYLAA-UHFFFAOYSA-N
Compound name
3-[5-(1,3-dioxolan-2-yl)oxolan-2-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.09978 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.10706 147.8
[M+Na]+ 239.08900 152.1
[M-H]- 215.09250 154.1
[M+NH4]+ 234.13360 164.4
[M+K]+ 255.06294 154.5
[M+H-H2O]+ 199.09704 143.6
[M+HCOO]- 261.09798 164.9
[M+CH3COO]- 275.11363 181.4
[M+Na-2H]- 237.07445 149.8
[M]+ 216.09923 147.5
[M]- 216.10033 147.5
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.