CID 8434

Ethylparaben

Structural Information

Molecular Formula

C₉H₁₀O₃

SMILES

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

InChI

InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3

InChIKey

NUVBSKCKDOMJSU-UHFFFAOYSA-N

Compound name

ethyl 4-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 274
References: 107705
Patents: 166.06299 Da
Monoisotopic Mass: 2.5
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]+	167.070266	132.5
[M+Na]+	189.052208	140.5
[M-H]-	165.055714	135.2
[M+NH4]+	184.096813	152.6
[M+K]+	205.026148	139.2
[M+H-H2O]+	149.060250	127.2
[M+HCOO]-	211.061191	155.5
[M+CH3COO]-	225.076841	175.2
[M+Na-2H]-	187.037656	138.4
[M]+	166.06244142	133.9
[M]-	166.06353858	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe