CID 71354118

154826-10-5

Structural Information

Molecular Formula
C18H28O4
SMILES
CCCCCCCCC1=CC=C(C=C1)OCCOCC(=O)O
InChI
InChI=1S/C18H28O4/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)22-14-13-21-15-18(19)20/h9-12H,2-8,13-15H2,1H3,(H,19,20)
InChIKey
XZNGROLKAUBWMB-UHFFFAOYSA-N
Compound name
2-[2-(4-octylphenoxy)ethoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.19876 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.20604 176.5
[M+Na]+ 331.18798 186.3
[M+NH4]+ 326.23258 182.2
[M+K]+ 347.16192 179.4
[M-H]- 307.19148 176.6
[M+Na-2H]- 329.17343 179.8
[M]+ 308.19821 177.7
[M]- 308.19931 177.7
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.