CID 20240

Isobutyl 4-hydroxybenzoate

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

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

InChI

InChI=1S/C11H14O3/c1-8(2)7-14-11(13)9-3-5-10(12)6-4-9/h3-6,8,12H,7H2,1-2H3

InChIKey

XPJVKCRENWUEJH-UHFFFAOYSA-N

Compound name

2-methylpropyl 4-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 46
References: 12332
Patents: 194.0943 Da
Monoisotopic Mass: 3.4
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	142.4
[M+Na]+	217.08352	153.8
[M+NH4]+	212.12812	149.7
[M+K]+	233.05746	148.8
[M-H]-	193.08702	143.1
[M+Na-2H]-	215.06897	147.6
[M]+	194.09375	144.0
[M]-	194.09485	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe