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
3
Annotation Hits

0
References

5243
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 171.4
[M+Na]+ 315.19308 177.1
[M-H]- 291.19658 173.4
[M+NH4]+ 310.23768 186.8
[M+K]+ 331.16702 174.8
[M+H-H2O]+ 275.20112 165.9
[M+HCOO]- 337.20206 188.2
[M+CH3COO]- 351.21771 205.0
[M+Na-2H]- 313.17853 173.7
[M]+ 292.20331 175.6
[M]- 292.20441 175.6
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