CID 9968607

Dimethyl 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate

Structural Information

Molecular Formula
C20H20O6
SMILES
COC(=O)C1C(C(C1C2=CC=C(C=C2)O)C(=O)OC)C3=CC=C(C=C3)O
InChI
InChI=1S/C20H20O6/c1-25-19(23)17-15(11-3-7-13(21)8-4-11)18(20(24)26-2)16(17)12-5-9-14(22)10-6-12/h3-10,15-18,21-22H,1-2H3
InChIKey
OEWCQSJKSNWJTH-UHFFFAOYSA-N
Compound name
dimethyl 2,4-bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

356.12598 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.133256 180.8
[M+Na]+ 379.115198 185.3
[M-H]- 355.118704 187.7
[M+NH4]+ 374.159803 185.5
[M+K]+ 395.089138 186.2
[M+H-H2O]+ 339.123240 166.8
[M+HCOO]- 401.124181 197.4
[M+CH3COO]- 415.139831 213.6
[M+Na-2H]- 377.100646 178.4
[M]+ 356.12543142 191.3
[M]- 356.12652858 191.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe