CID 20463509

15552-32-6

Structural Information

Molecular Formula

C₁₀H₁₀O₅

SMILES

CCOC(=O)OC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C10H10O5/c1-2-14-10(13)15-8-5-3-7(4-6-8)9(11)12/h3-6H,2H2,1H3,(H,11,12)

InChIKey

UXVMHSYMNTYLPO-UHFFFAOYSA-N

Compound name

4-ethoxycarbonyloxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 298
Patents: 210.05283 Da
Monoisotopic Mass: 2.0
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]+	211.06011	141.7
[M+Na]+	233.04205	149.1
[M-H]-	209.04555	144.3
[M+NH4]+	228.08665	159.7
[M+K]+	249.01599	148.6
[M+H-H2O]+	193.05009	135.8
[M+HCOO]-	255.05103	164.0
[M+CH3COO]-	269.06668	181.8
[M+Na-2H]-	231.02750	145.9
[M]+	210.05228	144.9
[M]-	210.05338	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe