CID 249203

Ethyl glycerin acetal levulinate

Structural Information

Molecular Formula
C10H18O5
SMILES
CCOC(=O)CCC1(OCC(O1)CO)C
InChI
InChI=1S/C10H18O5/c1-3-13-9(12)4-5-10(2)14-7-8(6-11)15-10/h8,11H,3-7H2,1-2H3
InChIKey
JOCPGAIMQOQRNE-UHFFFAOYSA-N
Compound name
ethyl 3-[4-(hydroxymethyl)-2-methyl-1,3-dioxolan-2-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

66
Patents

218.11542 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.12270 147.5
[M+Na]+ 241.10464 153.6
[M-H]- 217.10814 150.5
[M+NH4]+ 236.14924 166.4
[M+K]+ 257.07858 155.5
[M+H-H2O]+ 201.11268 143.4
[M+HCOO]- 263.11362 166.3
[M+CH3COO]- 277.12927 183.0
[M+Na-2H]- 239.09009 152.2
[M]+ 218.11487 151.5
[M]- 218.11597 151.5
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

patents stripe