CID 526723

Triethylene glycol monodecyl ether

Structural Information

Molecular Formula
C16H34O4
SMILES
CCCCCCCCCCOCCOCCOCCO
InChI
InChI=1S/C16H34O4/c1-2-3-4-5-6-7-8-9-11-18-13-15-20-16-14-19-12-10-17/h17H,2-16H2,1H3
InChIKey
UKODLHVFJRCQME-UHFFFAOYSA-N
Compound name
2-[2-(2-decoxyethoxy)ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1051
Patents

290.2457 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.25298 176.1
[M+Na]+ 313.23492 178.6
[M-H]- 289.23842 172.9
[M+NH4]+ 308.27952 191.1
[M+K]+ 329.20886 176.8
[M+H-H2O]+ 273.24296 169.2
[M+HCOO]- 335.24390 196.1
[M+CH3COO]- 349.25955 202.4
[M+Na-2H]- 311.22037 177.5
[M]+ 290.24515 185.2
[M]- 290.24625 185.2
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