CID 8167192

93748-14-2

Structural Information

Molecular Formula

C₁₄H₂₀O₂

SMILES

CC(C)(C)C1=CC=C(C=C1)C(C)(C)C(=O)O

InChI

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

InChIKey

OHAKGGAAZZPXLJ-UHFFFAOYSA-N

Compound name

2-(4-tert-butylphenyl)-2-methylpropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 220.14633 Da
Monoisotopic Mass: 4.0
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	150.5
[M+Na]+	243.13555	157.3
[M-H]-	219.13905	153.0
[M+NH4]+	238.18015	168.8
[M+K]+	259.10949	155.3
[M+H-H2O]+	203.14359	145.9
[M+HCOO]-	265.14453	168.5
[M+CH3COO]-	279.16018	189.1
[M+Na-2H]-	241.12100	155.5
[M]+	220.14578	151.3
[M]-	220.14688	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe