CID 86106639

Dtxsid001023453

Structural Information

Molecular Formula
C20H34O4
SMILES
CCCCCC(C)(C)C1=CC=C(C=C1)OCCOCCOCCO
InChI
InChI=1S/C20H34O4/c1-4-5-6-11-20(2,3)18-7-9-19(10-8-18)24-17-16-23-15-14-22-13-12-21/h7-10,21H,4-6,11-17H2,1-3H3
InChIKey
KDLQHIZRTXRNFX-UHFFFAOYSA-N
Compound name
2-[2-[2-[4-(2-methylheptan-2-yl)phenoxy]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.2457 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.252976 187.4
[M+Na]+ 361.234918 190.7
[M-H]- 337.238424 188.0
[M+NH4]+ 356.279523 200.5
[M+K]+ 377.208858 187.9
[M+H-H2O]+ 321.242960 179.9
[M+HCOO]- 383.243901 206.0
[M+CH3COO]- 397.259551 211.3
[M+Na-2H]- 359.220366 189.4
[M]+ 338.24515142 195.1
[M]- 338.24624858 195.1
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

No patent data available for this compound.