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 181.4
[M+Na]+ 381.13085 186.3
[M-H]- 357.13435 185.3
[M+NH4]+ 376.17545 192.2
[M+K]+ 397.10479 184.5
[M+H-H2O]+ 341.13889 174.3
[M+HCOO]- 403.13983 197.1
[M+CH3COO]- 417.15548 210.9
[M+Na-2H]- 379.11630 184.3
[M]+ 358.14108 184.7
[M]- 358.14218 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.