CID 105319

66172-86-9

Structural Information

Molecular Formula
C20H42O6
SMILES
CC(C)CCCCCCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C20H42O6/c1-20(2)8-6-4-3-5-7-10-22-12-14-24-16-18-26-19-17-25-15-13-23-11-9-21/h20-21H,3-19H2,1-2H3
InChIKey
PUJVHDGLFNDWDZ-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-(8-methylnonoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

378.29813 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.30541 199.2
[M+Na]+ 401.28735 199.4
[M-H]- 377.29085 195.1
[M+NH4]+ 396.33195 206.4
[M+K]+ 417.26129 198.2
[M+H-H2O]+ 361.29539 191.0
[M+HCOO]- 423.29633 218.1
[M+CH3COO]- 437.31198 218.7
[M+Na-2H]- 399.27280 197.4
[M]+ 378.29758 211.9
[M]- 378.29868 211.9
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