CID 45453

2-hexyloxy-2-ethoxyethyl ether

Structural Information

Molecular Formula
C20H42O5
SMILES
CCCCCCOC(COCC(OCC)OCCCCCC)OCC
InChI
InChI=1S/C20H42O5/c1-5-9-11-13-15-24-19(22-7-3)17-21-18-20(23-8-4)25-16-14-12-10-6-2/h19-20H,5-18H2,1-4H3
InChIKey
KDSIQFJJVKRHLW-UHFFFAOYSA-N
Compound name
1-[1-ethoxy-2-(2-ethoxy-2-hexoxyethoxy)ethoxy]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.30322 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.31050 198.2
[M+Na]+ 385.29244 198.9
[M-H]- 361.29594 195.8
[M+NH4]+ 380.33704 206.9
[M+K]+ 401.26638 198.5
[M+H-H2O]+ 345.30048 190.3
[M+HCOO]- 407.30142 214.9
[M+CH3COO]- 421.31707 220.2
[M+Na-2H]- 383.27789 195.4
[M]+ 362.30267 210.8
[M]- 362.30377 210.8
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

No patent data available for this compound.