CID 10069221

Triglycerol caprate

Structural Information

Molecular Formula
C19H38O8
SMILES
CCCCCCCCCC(=O)OCC(COCC(COCC(CO)O)O)O
InChI
InChI=1S/C19H38O8/c1-2-3-4-5-6-7-8-9-19(24)27-15-18(23)14-26-13-17(22)12-25-11-16(21)10-20/h16-18,20-23H,2-15H2,1H3
InChIKey
GAYNVJRUULPNKD-UHFFFAOYSA-N
Compound name
[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropyl] decanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

275
Patents

394.25668 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.26396 199.4
[M+Na]+ 417.24590 207.4
[M-H]- 393.24940 198.3
[M+NH4]+ 412.29050 203.7
[M+K]+ 433.21984 197.2
[M+H-H2O]+ 377.25394 192.0
[M+HCOO]- 439.25488 205.0
[M+CH3COO]- 453.27053 214.0
[M+Na-2H]- 415.23135 193.3
[M]+ 394.25613 201.8
[M]- 394.25723 201.8
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