CID 78933

5274-68-0

Structural Information

Molecular Formula
C20H42O5
SMILES
CCCCCCCCCCCCOCCOCCOCCOCCO
InChI
InChI=1S/C20H42O5/c1-2-3-4-5-6-7-8-9-10-11-13-22-15-17-24-19-20-25-18-16-23-14-12-21/h21H,2-20H2,1H3
InChIKey
WPMWEFXCIYCJSA-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

20
References

11142
Patents

362.30322 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.31050 195.9
[M+Na]+ 385.29244 196.5
[M-H]- 361.29594 191.8
[M+NH4]+ 380.33704 207.8
[M+K]+ 401.26638 194.2
[M+H-H2O]+ 345.30048 187.9
[M+HCOO]- 407.30142 214.6
[M+CH3COO]- 421.31707 216.1
[M+Na-2H]- 383.27789 195.2
[M]+ 362.30267 207.8
[M]- 362.30377 207.8
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