CID 3023234

93983-22-3

Structural Information

Molecular Formula
C19H40O8
SMILES
CCC(CO)(CO)COCC(CC)(CO)COCOCC(CC)(CO)CO
InChI
InChI=1S/C19H40O8/c1-4-17(7-20,8-21)12-25-14-19(6-3,11-24)15-27-16-26-13-18(5-2,9-22)10-23/h20-24H,4-16H2,1-3H3
InChIKey
JYTAOLSNJPFUNZ-UHFFFAOYSA-N
Compound name
2-[[2-[2,2-bis(hydroxymethyl)butoxymethoxymethyl]-2-(hydroxymethyl)butoxy]methyl]-2-ethylpropane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.2723 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.279576 190.7
[M+Na]+ 419.261518 189.1
[M-H]- 395.265024 184.7
[M+NH4]+ 414.306123 185.3
[M+K]+ 435.235458 187.3
[M+H-H2O]+ 379.269560 192.9
[M+HCOO]- 441.270501 200.7
[M+CH3COO]- 455.286151 211.5
[M+Na-2H]- 417.246966 176.8
[M]+ 396.27175142 191.2
[M]- 396.27284858 191.2
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.