CID 625983

13403-01-5

Structural Information

Molecular Formula
C20H32O3
SMILES
CCC(C(=O)O)OC1=C(C=C(C=C1)C(C)(C)CC)C(C)(C)CC
InChI
InChI=1S/C20H32O3/c1-8-16(18(21)22)23-17-12-11-14(19(4,5)9-2)13-15(17)20(6,7)10-3/h11-13,16H,8-10H2,1-7H3,(H,21,22)
InChIKey
PHCYXPLSQNMCRY-UHFFFAOYSA-N
Compound name
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

287
Patents

320.23514 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.24242 180.6
[M+Na]+ 343.22436 189.8
[M+NH4]+ 338.26896 186.0
[M+K]+ 359.19830 185.6
[M-H]- 319.22786 179.7
[M+Na-2H]- 341.20981 183.3
[M]+ 320.23459 181.7
[M]- 320.23569 181.7
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

patents stripe