CID 71587572

Unii-4v5zzl5uwi

Structural Information

Molecular Formula
C16H30O5
SMILES
CCCCCC(CCCC(=O)OCC1COC(O1)(C)C)O
InChI
InChI=1S/C16H30O5/c1-4-5-6-8-13(17)9-7-10-15(18)19-11-14-12-20-16(2,3)21-14/h13-14,17H,4-12H2,1-3H3
InChIKey
REYDYLGZGYQXQP-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 5-hydroxydecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

302.20932 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.21660 174.5
[M+Na]+ 325.19854 180.8
[M+NH4]+ 320.24314 180.5
[M+K]+ 341.17248 177.4
[M-H]- 301.20204 175.1
[M+Na-2H]- 323.18399 174.5
[M]+ 302.20877 175.3
[M]- 302.20987 175.3
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.