CID 83411

13402-96-5

Structural Information

Molecular Formula
C18H28O3
SMILES
CCC(C)(C)C1=CC(=C(C=C1)OCC(=O)O)C(C)(C)CC
InChI
InChI=1S/C18H28O3/c1-7-17(3,4)13-9-10-15(21-12-16(19)20)14(11-13)18(5,6)8-2/h9-11H,7-8,12H2,1-6H3,(H,19,20)
InChIKey
QXQMENSTZKYZCE-UHFFFAOYSA-N
Compound name
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5234
Patents

292.20386 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.21114 172.3
[M+Na]+ 315.19308 182.3
[M+NH4]+ 310.23768 178.2
[M+K]+ 331.16702 177.7
[M-H]- 291.19658 171.8
[M+Na-2H]- 313.17853 175.9
[M]+ 292.20331 173.6
[M]- 292.20441 173.6
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