CID 175553

2,3-dihydroxypropyl 5-hydroxydodecanoate

Structural Information

Molecular Formula
C15H30O5
SMILES
CCCCCCCC(CCCC(=O)OCC(CO)O)O
InChI
InChI=1S/C15H30O5/c1-2-3-4-5-6-8-13(17)9-7-10-15(19)20-12-14(18)11-16/h13-14,16-18H,2-12H2,1H3
InChIKey
KCEQGTJBAICOKH-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl 5-hydroxydodecanoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

47
Patents

290.20932 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.21660 175.8
[M+Na]+ 313.19854 177.4
[M-H]- 289.20204 170.2
[M+NH4]+ 308.24314 189.0
[M+K]+ 329.17248 175.5
[M+H-H2O]+ 273.20658 169.6
[M+HCOO]- 335.20752 190.4
[M+CH3COO]- 349.22317 197.4
[M+Na-2H]- 311.18399 172.7
[M]+ 290.20877 179.2
[M]- 290.20987 179.2
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

patents stripe