CID 7184

Butylparaben

Structural Information

Molecular Formula

C₁₁H₁₄O₃

SMILES

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

InChI

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

InChIKey

QFOHBWFCKVYLES-UHFFFAOYSA-N

Compound name

butyl 4-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 361
References: 78615
Patents: 194.0943 Da
Monoisotopic Mass: 3.6
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	154.1
[M+NH4]+	212.12812	149.9
[M+K]+	233.05746	148.3
[M-H]-	193.08702	143.3
[M+Na-2H]-	215.06897	148.0
[M]+	194.09375	144.1
[M]-	194.09485	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe