CID 165293

5168-89-8

Structural Information

Molecular Formula
C22H46O7
SMILES
CCCCCCCCCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C22H46O7/c1-2-3-4-5-6-7-8-9-11-24-13-15-26-17-19-28-21-22-29-20-18-27-16-14-25-12-10-23/h23H,2-22H2,1H3
InChIKey
GLGQRQQFWLTGES-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1075
Patents

422.32434 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.33162 207.8
[M+Na]+ 445.31356 220.6
[M-H]- 421.31706 203.6
[M+NH4]+ 440.35816 215.8
[M+K]+ 461.28750 205.8
[M+H-H2O]+ 405.32160 199.0
[M+HCOO]- 467.32254 230.1
[M+CH3COO]- 481.33819 225.6
[M+Na-2H]- 443.29901 206.6
[M]+ 422.32379 218.0
[M]- 422.32489 218.0
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