CID 170898

50772-35-5

Structural Information

Molecular Formula
C20H32O3
SMILES
CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)O)C(C)(C)CC
InChI
InChI=1S/C20H32O3/c1-7-19(3,4)15-11-12-17(23-13-9-10-18(21)22)16(14-15)20(5,6)8-2/h11-12,14H,7-10,13H2,1-6H3,(H,21,22)
InChIKey
LZSDVFDKDUZVFK-UHFFFAOYSA-N
Compound name
4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

37
Patents

320.23514 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.24242 181.1
[M+Na]+ 343.22436 190.7
[M+NH4]+ 338.26896 186.6
[M+K]+ 359.19830 185.6
[M-H]- 319.22786 180.5
[M+Na-2H]- 341.20981 184.2
[M]+ 320.23459 182.3
[M]- 320.23569 182.3
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