CID 8189

Triglyme

Structural Information

Molecular Formula
C8H18O4
SMILES
COCCOCCOCCOC
InChI
InChI=1S/C8H18O4/c1-9-3-5-11-7-8-12-6-4-10-2/h3-8H2,1-2H3
InChIKey
YFNKIDBQEZZDLK-UHFFFAOYSA-N
Compound name
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

17
References

74625
Patents

178.12051 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.127786 139.3
[M+Na]+ 201.109728 145.6
[M-H]- 177.113234 139.2
[M+NH4]+ 196.154333 159.6
[M+K]+ 217.083668 146.8
[M+H-H2O]+ 161.117770 133.9
[M+HCOO]- 223.118711 163.5
[M+CH3COO]- 237.134361 181.2
[M+Na-2H]- 199.095176 145.5
[M]+ 178.11996142 147.3
[M]- 178.12105858 147.3
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