CID 9881947

2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid

Structural Information

Molecular Formula
C16H16O4
SMILES
COC(C1=CC=CC=C1)(C2=CC=CC=C2)C(C(=O)O)O
InChI
InChI=1S/C16H16O4/c1-20-16(14(17)15(18)19,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14,17H,1H3,(H,18,19)
InChIKey
RQJWOLFMWKZKCJ-UHFFFAOYSA-N
Compound name
2-hydroxy-3-methoxy-3,3-diphenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

159
Patents

272.10486 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11214 161.9
[M+Na]+ 295.09408 173.5
[M+NH4]+ 290.13868 168.5
[M+K]+ 311.06802 168.8
[M-H]- 271.09758 163.7
[M+Na-2H]- 293.07953 169.3
[M]+ 272.10431 164.0
[M]- 272.10541 164.0
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

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