CID 86607

Sec-butyl 4-hydroxybenzoate

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

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

InChI

InChI=1S/C11H14O3/c1-3-8(2)14-11(13)9-4-6-10(12)7-5-9/h4-8,12H,3H2,1-2H3

InChIKey

ZUOTXZHOGPQFIU-UHFFFAOYSA-N

Compound name

butan-2-yl 4-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 677
Patents: 194.0943 Da
Monoisotopic Mass: 2.7
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