CID 43836

61888-58-2

Structural Information

Molecular Formula
C18H20O3
SMILES
CC(C)COC1=CC(=CC(=C1)C2=CC=CC=C2)CC(=O)O
InChI
InChI=1S/C18H20O3/c1-13(2)12-21-17-9-14(10-18(19)20)8-16(11-17)15-6-4-3-5-7-15/h3-9,11,13H,10,12H2,1-2H3,(H,19,20)
InChIKey
UEEUXNYHDGTSTK-UHFFFAOYSA-N
Compound name
2-[3-(2-methylpropoxy)-5-phenylphenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.14124 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14852 167.1
[M+Na]+ 307.13046 172.8
[M-H]- 283.13396 172.2
[M+NH4]+ 302.17506 181.9
[M+K]+ 323.10440 169.4
[M+H-H2O]+ 267.13850 159.4
[M+HCOO]- 329.13944 187.4
[M+CH3COO]- 343.15509 200.8
[M+Na-2H]- 305.11591 168.6
[M]+ 284.14069 168.8
[M]- 284.14179 168.8
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

No patent data available for this compound.