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]+ 217.107056 147.8
[M+Na]+ 239.088998 152.1
[M-H]- 215.092504 154.1
[M+NH4]+ 234.133603 164.4
[M+K]+ 255.062938 154.5
[M+H-H2O]+ 199.097040 143.6
[M+HCOO]- 261.097981 164.9
[M+CH3COO]- 275.113631 181.4
[M+Na-2H]- 237.074446 149.8
[M]+ 216.09923142 147.5
[M]- 216.10032858 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.