CID 102429

Propane-1,2,3-triyl trilactate

Structural Information

Molecular Formula
C12H20O9
SMILES
CC(C(=O)OCC(COC(=O)C(C)O)OC(=O)C(C)O)O
InChI
InChI=1S/C12H20O9/c1-6(13)10(16)19-4-9(21-12(18)8(3)15)5-20-11(17)7(2)14/h6-9,13-15H,4-5H2,1-3H3
InChIKey
QFZKSWMAYXNSEJ-UHFFFAOYSA-N
Compound name
2,3-bis(2-hydroxypropanoyloxy)propyl 2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2341
Patents

308.11072 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.11800 166.3
[M+Na]+ 331.09994 168.6
[M-H]- 307.10344 161.6
[M+NH4]+ 326.14454 184.4
[M+K]+ 347.07388 171.2
[M+H-H2O]+ 291.10798 160.6
[M+HCOO]- 353.10892 176.5
[M+CH3COO]- 367.12457 198.5
[M+Na-2H]- 329.08539 160.9
[M]+ 308.11017 170.4
[M]- 308.11127 170.4
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