CID 71757182

3-[4-(benzyloxy)phenyl]-3-hydroxy-2,2-dimethylpropanoic acid

Structural Information

Molecular Formula
C18H20O4
SMILES
CC(C)(C(C1=CC=C(C=C1)OCC2=CC=CC=C2)O)C(=O)O
InChI
InChI=1S/C18H20O4/c1-18(2,17(20)21)16(19)14-8-10-15(11-9-14)22-12-13-6-4-3-5-7-13/h3-11,16,19H,12H2,1-2H3,(H,20,21)
InChIKey
GCTLDDCFPJNPJU-UHFFFAOYSA-N
Compound name
3-hydroxy-2,2-dimethyl-3-(4-phenylmethoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.13617 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.14345 170.5
[M+Na]+ 323.12539 182.0
[M+NH4]+ 318.16999 176.7
[M+K]+ 339.09933 177.1
[M-H]- 299.12889 172.2
[M+Na-2H]- 321.11084 177.2
[M]+ 300.13562 172.6
[M]- 300.13672 172.6
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.