CID 11424104

Tert-butyl 2-hydroxybenzoate

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

CC(C)(C)OC(=O)C1=CC=CC=C1O

InChI

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

InChIKey

QAZYGHLQQPTQAX-UHFFFAOYSA-N

Compound name

tert-butyl 2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 797
Patents: 194.0943 Da
Monoisotopic Mass: 3.3
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	142.2
[M+Na]+	217.08352	153.7
[M+NH4]+	212.12812	149.5
[M+K]+	233.05746	149.2
[M-H]-	193.08702	142.5
[M+Na-2H]-	215.06897	147.8
[M]+	194.09375	143.9
[M]-	194.09485	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe