CID 73555396

109075-72-1

Structural Information

Molecular Formula
C22H46O6
SMILES
CCCCCCCCOCCOCCOCCOCCOCCOCCCC
InChI
InChI=1S/C22H46O6/c1-3-5-7-8-9-10-12-24-14-16-26-18-20-28-22-21-27-19-17-25-15-13-23-11-6-4-2/h3-22H2,1-2H3
InChIKey
DWUFLCRYKMCYCB-UHFFFAOYSA-N
Compound name
1-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]octane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

406.32944 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.33672 206.5
[M+Na]+ 429.31866 206.6
[M-H]- 405.32216 203.4
[M+NH4]+ 424.36326 214.9
[M+K]+ 445.29260 205.3
[M+H-H2O]+ 389.32670 197.7
[M+HCOO]- 451.32764 229.3
[M+CH3COO]- 465.34329 226.3
[M+Na-2H]- 427.30411 205.5
[M]+ 406.32889 222.6
[M]- 406.32999 222.6
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