CID 3063024

Mg 6844

Structural Information

Molecular Formula
C20H22O6
SMILES
CC(C)(C(=O)O)OC1=CC=C(C=C1)C2=CC=C(C=C2)OC(C)(C)C(=O)O
InChI
InChI=1S/C20H22O6/c1-19(2,17(21)22)25-15-9-5-13(6-10-15)14-7-11-16(12-8-14)26-20(3,4)18(23)24/h5-12H,1-4H3,(H,21,22)(H,23,24)
InChIKey
XEQNWKKWSFRRGZ-UHFFFAOYSA-N
Compound name
2-[4-[4-(2-carboxypropan-2-yloxy)phenyl]phenoxy]-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.14163 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.14891 181.9
[M+Na]+ 381.13085 191.9
[M+NH4]+ 376.17545 186.1
[M+K]+ 397.10479 189.3
[M-H]- 357.13435 181.7
[M+Na-2H]- 379.11630 186.9
[M]+ 358.14108 183.1
[M]- 358.14218 183.1
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

No patent data available for this compound.