CID 11127419

Vinyl caffeate

Structural Information

Molecular Formula

C₁₁H₁₀O₄

SMILES

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

InChI

InChI=1S/C11H10O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h2-7,12-13H,1H2/b6-4+

InChIKey

XVCVDNKCUNGTRP-GQCTYLIASA-N

Compound name

ethenyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 206.0579 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]+	207.06518	144.2
[M+Na]+	229.04712	155.4
[M+NH4]+	224.09172	150.2
[M+K]+	245.02106	150.5
[M-H]-	205.05062	143.6
[M+Na-2H]-	227.03257	148.2
[M]+	206.05735	145.2
[M]-	206.05845	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe