CID 3084912

Carbonic acid, ethyl 4-formylphenyl ester

Structural Information

Molecular Formula

C₁₀H₁₀O₄

SMILES

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

InChI

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

InChIKey

SVTPATAPZYXEIF-UHFFFAOYSA-N

Compound name

ethyl (4-formylphenyl) carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 194.0579 Da
Monoisotopic Mass: 1.9
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]+	195.065176	138.1
[M+Na]+	217.047118	146.4
[M-H]-	193.050624	142.1
[M+NH4]+	212.091723	157.7
[M+K]+	233.021058	145.7
[M+H-H2O]+	177.055160	132.2
[M+HCOO]-	239.056101	162.8
[M+CH3COO]-	253.071751	181.3
[M+Na-2H]-	215.032566	144.0
[M]+	194.05735142	142.5
[M]-	194.05844858	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe