CID 66219

Tripentaerythritol

Structural Information

Molecular Formula
C15H32O10
SMILES
C(C(CO)(CO)COCC(CO)(CO)COCC(CO)(CO)CO)O
InChI
InChI=1S/C15H32O10/c16-1-13(2-17,3-18)9-24-11-15(7-22,8-23)12-25-10-14(4-19,5-20)6-21/h16-23H,1-12H2
InChIKey
PTJWCLYPVFJWMP-UHFFFAOYSA-N
Compound name
2-[[3-hydroxy-2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

40999
Patents

372.19955 Da
Monoisotopic Mass

-5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.20683 179.0
[M+Na]+ 395.18877 173.9
[M-H]- 371.19227 174.2
[M+NH4]+ 390.23337 168.3
[M+K]+ 411.16271 181.9
[M+H-H2O]+ 355.19681 178.8
[M+HCOO]- 417.19775 185.3
[M+CH3COO]- 431.21340 198.4
[M+Na-2H]- 393.17422 187.4
[M]+ 372.19900 176.0
[M]- 372.20010 176.0
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

patents stripe