CID 8178

Triethylene glycol monomethyl ether

Structural Information

Molecular Formula
C7H16O4
SMILES
COCCOCCOCCO
InChI
InChI=1S/C7H16O4/c1-9-4-5-11-7-6-10-3-2-8/h8H,2-7H2,1H3
InChIKey
JLGLQAWTXXGVEM-UHFFFAOYSA-N
Compound name
2-[2-(2-methoxyethoxy)ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

10
References

81523
Patents

164.10486 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.11214 135.4
[M+Na]+ 187.09408 141.6
[M-H]- 163.09758 133.9
[M+NH4]+ 182.13868 155.5
[M+K]+ 203.06802 142.1
[M+H-H2O]+ 147.10212 130.3
[M+HCOO]- 209.10306 158.3
[M+CH3COO]- 223.11871 175.5
[M+Na-2H]- 185.07953 141.5
[M]+ 164.10431 141.0
[M]- 164.10541 141.0
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