CID 71367693

Chebi:139104

Structural Information

Molecular Formula
C20H38O5
SMILES
CCCCCCC[C@H](CC(=O)O[C@H](CCCCCCC)CC(=O)O)O
InChI
InChI=1S/C20H38O5/c1-3-5-7-9-11-13-17(21)15-20(24)25-18(16-19(22)23)14-12-10-8-6-4-2/h17-18,21H,3-16H2,1-2H3,(H,22,23)/t17-,18-/m1/s1
InChIKey
ZFPAFAWFRTWCSK-QZTJIDSGSA-N
Compound name
(3R)-3-[(3R)-3-hydroxydecanoyl]oxydecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.2719 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.27918 193.2
[M+Na]+ 381.26112 197.1
[M+NH4]+ 376.30572 205.2
[M+K]+ 397.23506 193.3
[M-H]- 357.26462 188.1
[M+Na-2H]- 379.24657 189.5
[M]+ 358.27135 191.5
[M]- 358.27245 191.5
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

No patent data available for this compound.