CID 52915817

854646-92-7

Structural Information

Molecular Formula

C₁₄H₂₀O₂

SMILES

CC1=CC(=CC(=C1CC(=O)O)C)C(C)(C)C

InChI

InChI=1S/C14H20O2/c1-9-6-11(14(3,4)5)7-10(2)12(9)8-13(15)16/h6-7H,8H2,1-5H3,(H,15,16)

InChIKey

FEGJTNSSKIPCOF-UHFFFAOYSA-N

Compound name

2-(4-tert-butyl-2,6-dimethylphenyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 220.14633 Da
Monoisotopic Mass: 3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	221.15361	151.9
[M+Na]+	243.13555	164.0
[M+NH4]+	238.18015	159.3
[M+K]+	259.10949	158.7
[M-H]-	219.13905	152.8
[M+Na-2H]-	241.12100	156.8
[M]+	220.14578	153.9
[M]-	220.14688	153.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe