CID 104399

53061-21-5

Structural Information

Molecular Formula
C24H42O6
SMILES
CC(C)CCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCO
InChI
InChI=1S/C24H42O6/c1-22(2)6-4-3-5-7-23-8-10-24(11-9-23)30-21-20-29-19-18-28-17-16-27-15-14-26-13-12-25/h8-11,22,25H,3-7,12-21H2,1-2H3
InChIKey
IYOVNRHKIGBOOO-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-[2-[4-(6-methylheptyl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.29813 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.30541 210.0
[M+Na]+ 449.28735 210.4
[M-H]- 425.29085 209.3
[M+NH4]+ 444.33195 218.9
[M+K]+ 465.26129 208.0
[M+H-H2O]+ 409.29539 200.5
[M+HCOO]- 471.29633 228.1
[M+CH3COO]- 485.31198 227.2
[M+Na-2H]- 447.27280 208.0
[M]+ 426.29758 221.7
[M]- 426.29868 221.7
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.