CID 14433924

114740-40-8

Structural Information

Molecular Formula
C23H48O12
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C23H48O12/c1-25-4-5-27-8-9-29-12-13-31-16-17-33-20-21-35-23-22-34-19-18-32-15-14-30-11-10-28-7-6-26-3-2-24/h24H,2-23H2,1H3
InChIKey
VWDQSWKLHABGKL-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

190
Patents

516.3146 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.32188 238.0
[M+Na]+ 539.30382 238.2
[M-H]- 515.30732 227.0
[M+NH4]+ 534.34842 239.9
[M+K]+ 555.27776 233.1
[M+H-H2O]+ 499.31186 238.7
[M+HCOO]- 561.31280 250.0
[M+CH3COO]- 575.32845 237.7
[M+Na-2H]- 537.28927 221.3
[M]+ 516.31405 239.1
[M]- 516.31515 239.1
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