CID 595995

Methyl vinyl terephthalate

Structural Information

Molecular Formula

C₁₁H₁₀O₄

SMILES

COC(=O)C1=CC=C(C=C1)C(=O)OC=C

InChI

InChI=1S/C11H10O4/c1-3-15-11(13)9-6-4-8(5-7-9)10(12)14-2/h3-7H,1H2,2H3

InChIKey

FBYYPLOFNOJJFK-UHFFFAOYSA-N

Compound name

4-O-ethenyl 1-O-methyl benzene-1,4-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 206.0579 Da
Monoisotopic Mass: 2.7
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]+	207.065176	141.3
[M+Na]+	229.047118	149.2
[M-H]-	205.050624	145.2
[M+NH4]+	224.091723	160.3
[M+K]+	245.021058	148.1
[M+H-H2O]+	189.055160	135.4
[M+HCOO]-	251.056101	164.8
[M+CH3COO]-	265.071751	184.4
[M+Na-2H]-	227.032566	145.5
[M]+	206.05735142	144.7
[M]-	206.05844858	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe