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]+ 359.148906 181.4
[M+Na]+ 381.130848 186.3
[M-H]- 357.134354 185.3
[M+NH4]+ 376.175453 192.2
[M+K]+ 397.104788 184.5
[M+H-H2O]+ 341.138890 174.3
[M+HCOO]- 403.139831 197.1
[M+CH3COO]- 417.155481 210.9
[M+Na-2H]- 379.116296 184.3
[M]+ 358.14108142 184.7
[M]- 358.14217858 184.7
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

No patent data available for this compound.