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 170.1
[M+Na]+ 323.12539 174.7
[M-H]- 299.12889 173.7
[M+NH4]+ 318.16999 183.2
[M+K]+ 339.09933 171.6
[M+H-H2O]+ 283.13343 162.9
[M+HCOO]- 345.13437 187.5
[M+CH3COO]- 359.15002 199.6
[M+Na-2H]- 321.11084 172.9
[M]+ 300.13562 170.5
[M]- 300.13672 170.5
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.