CID 4412728

Diethylene glycol monotetradecyl ether

Structural Information

Molecular Formula
C18H38O3
SMILES
CCCCCCCCCCCCCCOCCOCCO
InChI
InChI=1S/C18H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-20-17-18-21-16-14-19/h19H,2-18H2,1H3
InChIKey
WNRNXKWTIJWZFQ-UHFFFAOYSA-N
Compound name
2-(2-tetradecoxyethoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

79
Patents

302.2821 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.28938 182.6
[M+Na]+ 325.27132 184.3
[M-H]- 301.27482 179.1
[M+NH4]+ 320.31592 197.2
[M+K]+ 341.24526 181.4
[M+H-H2O]+ 285.27936 175.6
[M+HCOO]- 347.28030 201.6
[M+CH3COO]- 361.29595 206.4
[M+Na-2H]- 323.25677 182.8
[M]+ 302.28155 190.9
[M]- 302.28265 190.9
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