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
2
Annotation Hits

0
References

200
Patents

272.10486 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.112136 161.3
[M+Na]+ 295.094078 166.0
[M-H]- 271.097584 165.0
[M+NH4]+ 290.138683 175.3
[M+K]+ 311.068018 163.2
[M+H-H2O]+ 255.102120 154.3
[M+HCOO]- 317.103061 179.5
[M+CH3COO]- 331.118711 192.5
[M+Na-2H]- 293.079526 165.9
[M]+ 272.10431142 160.7
[M]- 272.10540858 160.7
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