CID 164720

4-(ethoxycarbonyl)benzoic acid

Structural Information

Molecular Formula

C₁₀H₁₀O₄

SMILES

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

InChI

InChI=1S/C10H10O4/c1-2-14-10(13)8-5-3-7(4-6-8)9(11)12/h3-6H,2H2,1H3,(H,11,12)

InChIKey

ADFVYWCDAKWKPH-UHFFFAOYSA-N

Compound name

4-ethoxycarbonylbenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1868
Patents: 194.0579 Da
Monoisotopic Mass: 2.4
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]+	195.06518	140.1
[M+Na]+	217.04712	151.2
[M+NH4]+	212.09172	146.7
[M+K]+	233.02106	147.0
[M-H]-	193.05062	140.0
[M+Na-2H]-	215.03257	145.0
[M]+	194.05735	141.3
[M]-	194.05845	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe