CID 289391

4-(2-(4-tert-octylphenoxy)ethoxy)benzoic acid

Structural Information

Molecular Formula
C23H30O4
SMILES
CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C23H30O4/c1-22(2,3)16-23(4,5)18-8-12-20(13-9-18)27-15-14-26-19-10-6-17(7-11-19)21(24)25/h6-13H,14-16H2,1-5H3,(H,24,25)
InChIKey
OGNYKSZIFQUMPV-UHFFFAOYSA-N
Compound name
4-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

370.21442 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.221696 191.8
[M+Na]+ 393.203638 196.4
[M-H]- 369.207144 196.6
[M+NH4]+ 388.248243 203.4
[M+K]+ 409.177578 193.2
[M+H-H2O]+ 353.211680 184.1
[M+HCOO]- 415.212621 208.4
[M+CH3COO]- 429.228271 217.1
[M+Na-2H]- 391.189086 194.1
[M]+ 370.21387142 196.3
[M]- 370.21496858 196.3
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