CID 5354280

Vanitrope

Structural Information

Molecular Formula

C₁₁H₁₄O₂

SMILES

CCOC1=C(C=C(C=C1)/C=C/C)O

InChI

InChI=1S/C11H14O2/c1-3-5-9-6-7-11(13-4-2)10(12)8-9/h3,5-8,12H,4H2,1-2H3/b5-3+

InChIKey

RADIRXJQODWKGQ-HWKANZROSA-N

Compound name

2-ethoxy-5-[(E)-prop-1-enyl]phenol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 4871
Patents: 178.09938 Da
Monoisotopic Mass: 2.9
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]+	179.10666	138.7
[M+Na]+	201.08860	151.7
[M+NH4]+	196.13320	146.9
[M+K]+	217.06254	144.7
[M-H]-	177.09210	140.4
[M+Na-2H]-	199.07405	144.9
[M]+	178.09883	140.9
[M]-	178.09993	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe