CID 24209070

882865-41-0

Structural Information

Molecular Formula
C18H20O3
SMILES
CC(C)C1=CC=C(C=C1)COC2=CC=CC(=C2)CC(=O)O
InChI
InChI=1S/C18H20O3/c1-13(2)16-8-6-14(7-9-16)12-21-17-5-3-4-15(10-17)11-18(19)20/h3-10,13H,11-12H2,1-2H3,(H,19,20)
InChIKey
AEKXPKDLKFGLEA-UHFFFAOYSA-N
Compound name
2-[3-[(4-propan-2-ylphenyl)methoxy]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.14124 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.148516 167.1
[M+Na]+ 307.130458 172.8
[M-H]- 283.133964 172.2
[M+NH4]+ 302.175063 181.9
[M+K]+ 323.104398 169.4
[M+H-H2O]+ 267.138500 159.4
[M+HCOO]- 329.139441 187.4
[M+CH3COO]- 343.155091 200.8
[M+Na-2H]- 305.115906 168.6
[M]+ 284.14069142 168.8
[M]- 284.14178858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.