CID 78116

Triethylene glycol monotridecyl ether

Structural Information

Molecular Formula
C19H40O4
SMILES
CCCCCCCCCCCCCOCCOCCOCCO
InChI
InChI=1S/C19H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-14-21-16-18-23-19-17-22-15-13-20/h20H,2-19H2,1H3
InChIKey
KLFVDTRVIFNWIH-UHFFFAOYSA-N
Compound name
2-[2-(2-tridecoxyethoxy)ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1024
Patents

332.29266 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.29994 189.4
[M+Na]+ 355.28188 190.5
[M-H]- 331.28538 185.6
[M+NH4]+ 350.32648 202.6
[M+K]+ 371.25582 188.0
[M+H-H2O]+ 315.28992 181.9
[M+HCOO]- 377.29086 208.3
[M+CH3COO]- 391.30651 211.3
[M+Na-2H]- 353.26733 189.1
[M]+ 332.29211 199.5
[M]- 332.29321 199.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe