CID 17472

Hexaethylene glycol

Structural Information

Molecular Formula
C12H26O7
SMILES
C(COCCOCCOCCOCCOCCO)O
InChI
InChI=1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2
InChIKey
IIRDTKBZINWQAW-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

47
References

34693
Patents

282.16785 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.175126 164.2
[M+Na]+ 305.157068 167.5
[M-H]- 281.160574 160.2
[M+NH4]+ 300.201673 178.4
[M+K]+ 321.131008 167.5
[M+H-H2O]+ 265.165110 157.4
[M+HCOO]- 327.166051 184.6
[M+CH3COO]- 341.181701 194.0
[M+Na-2H]- 303.142516 167.5
[M]+ 282.16730142 174.1
[M]- 282.16839858 174.1
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