CID 79689

Decaethylene glycol

Structural Information

Molecular Formula
C20H42O11
SMILES
C(COCCOCCOCCOCCOCCOCCOCCOCCOCCO)O
InChI
InChI=1S/C20H42O11/c21-1-3-23-5-7-25-9-11-27-13-15-29-17-19-31-20-18-30-16-14-28-12-10-26-8-6-24-4-2-22/h21-22H,1-20H2
InChIKey
DTPCFIHYWYONMD-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

25605
Patents

458.2727 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.27998 222.6
[M+Na]+ 481.26192 222.8
[M-H]- 457.26542 211.6
[M+NH4]+ 476.30652 221.6
[M+K]+ 497.23586 216.7
[M+H-H2O]+ 441.26996 222.3
[M+HCOO]- 503.27090 234.2
[M+CH3COO]- 517.28655 225.2
[M+Na-2H]- 479.24737 206.9
[M]+ 458.27215 222.2
[M]- 458.27325 222.2
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