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
8
Annotation Hits

209
References

62286
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 131.5
[M+Na]+ 173.07842 137.7
[M-H]- 149.08192 128.7
[M+NH4]+ 168.12302 151.3
[M+K]+ 189.05236 137.5
[M+H-H2O]+ 133.08646 126.7
[M+HCOO]- 195.08740 153.2
[M+CH3COO]- 209.10305 169.8
[M+Na-2H]- 171.06387 137.5
[M]+ 150.08865 134.8
[M]- 150.08975 134.8
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