CID 31352

Dipentaerythritol

Structural Information

Molecular Formula

C₁₀H₂₂O₇

SMILES

C(C(CO)(CO)COCC(CO)(CO)CO)O

InChI

InChI=1S/C10H22O7/c11-1-9(2-12,3-13)7-17-8-10(4-14,5-15)6-16/h11-16H,1-8H2

InChIKey

TXBCBTDQIULDIA-UHFFFAOYSA-N

Compound name

2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 9
References: 69061
Patents: 254.13655 Da
Monoisotopic Mass: -3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	255.14383	156.3
[M+Na]+	277.12577	159.7
[M+NH4]+	272.17037	158.3
[M+K]+	293.09971	160.2
[M-H]-	253.12927	148.6
[M+Na-2H]-	275.11122	153.5
[M]+	254.13600	153.8
[M]-	254.13710	153.8

Literature stripe

literature stripe

Patent stripe

patents stripe