CID 8172

Triethylene glycol

Structural Information

Molecular Formula
C6H14O4
SMILES
C(COCCOCCO)O
InChI
InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2
InChIKey
ZIBGPFATKBEMQZ-UHFFFAOYSA-N
Compound name
2-[2-(2-hydroxyethoxy)ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

208
References

178678
Patents

150.0892 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.09648 130.8
[M+Na]+ 173.07842 139.3
[M+NH4]+ 168.12302 137.1
[M+K]+ 189.05236 135.1
[M-H]- 149.08192 128.3
[M+Na-2H]- 171.06387 132.9
[M]+ 150.08865 130.9
[M]- 150.08975 130.9
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