CID 71354118

2-[2-(4-octylphenoxy)ethoxy]acetic acid

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 176.9
[M+Na]+ 331.18798 180.7
[M-H]- 307.19148 177.7
[M+NH4]+ 326.23258 190.9
[M+K]+ 347.16192 177.7
[M+H-H2O]+ 291.19602 169.3
[M+HCOO]- 353.19696 197.0
[M+CH3COO]- 367.21261 204.9
[M+Na-2H]- 329.17343 177.9
[M]+ 308.19821 183.0
[M]- 308.19931 183.0
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.