CID 85281

72928-88-2

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

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

InChI

InChI=1S/C11H14O3/c1-11(2,3)7-4-5-9(12)8(6-7)10(13)14/h4-6,12H,1-3H3,(H,13,14)

InChIKey

XAICWTLLSRXZPB-UHFFFAOYSA-N

Compound name

5-tert-butyl-2-hydroxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 854
Patents: 194.0943 Da
Monoisotopic Mass: 4.1
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]+	195.10158	142.3
[M+Na]+	217.08352	153.5
[M+NH4]+	212.12812	149.2
[M+K]+	233.05746	149.6
[M-H]-	193.08702	142.1
[M+Na-2H]-	215.06897	147.0
[M]+	194.09375	143.7
[M]-	194.09485	143.7

Literature stripe

literature stripe

Patent stripe

patents stripe