CID 11038293

Tetrapentaerythritol

Structural Information

Molecular Formula
C20H42O13
SMILES
C(C(CO)(CO)COCC(CO)(CO)COCC(CO)(CO)COCC(CO)(CO)CO)O
InChI
InChI=1S/C20H42O13/c21-1-17(2-22,3-23)11-31-13-19(7-27,8-28)15-33-16-20(9-29,10-30)14-32-12-18(4-24,5-25)6-26/h21-30H,1-16H2
InChIKey
LQACHMSKESVOCO-UHFFFAOYSA-N
Compound name
2-[[3-hydroxy-2-[[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

490.26254 Da
Monoisotopic Mass

-6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.26982 191.2
[M+Na]+ 513.25176 191.9
[M+NH4]+ 508.29636 191.9
[M+K]+ 529.22570 187.4
[M-H]- 489.25526 186.2
[M+Na-2H]- 511.23721 196.3
[M]+ 490.26199 188.9
[M]- 490.26309 188.9
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