CID 90684499

Dipentaerythritol diacetate

Structural Information

Molecular Formula
C14H26O9
SMILES
CC(=O)OCC(CO)(CO)COCC(CO)(CO)COC(=O)C
InChI
InChI=1S/C14H26O9/c1-11(19)22-9-13(3-15,4-16)7-21-8-14(5-17,6-18)10-23-12(2)20/h15-18H,3-10H2,1-2H3
InChIKey
BERBOYZVSKAGFH-UHFFFAOYSA-N
Compound name
[2-[[2-(acetyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propoxy]methyl]-3-hydroxy-2-(hydroxymethyl)propyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.15768 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.164956 176.0
[M+Na]+ 361.146898 178.1
[M-H]- 337.150404 174.9
[M+NH4]+ 356.191503 176.0
[M+K]+ 377.120838 178.4
[M+H-H2O]+ 321.154940 170.7
[M+HCOO]- 383.155881 185.7
[M+CH3COO]- 397.171531 199.4
[M+Na-2H]- 359.132346 177.7
[M]+ 338.15713142 176.4
[M]- 338.15822858 176.4
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

No patent data available for this compound.