CID 24835

Eugenyl formate

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

COC1=C(C=CC(=C1)CC=C)OC=O

InChI

InChI=1S/C11H12O3/c1-3-4-9-5-6-10(14-8-12)11(7-9)13-2/h3,5-8H,1,4H2,2H3

InChIKey

JUTKIGGQRLHTJN-UHFFFAOYSA-N

Compound name

(2-methoxy-4-prop-2-enylphenyl) formate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 3338
Patents: 192.07864 Da
Monoisotopic Mass: 2.3
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]+	193.08592	140.3
[M+Na]+	215.06786	153.4
[M+NH4]+	210.11246	148.0
[M+K]+	231.04180	146.6
[M-H]-	191.07136	141.8
[M+Na-2H]-	213.05331	146.7
[M]+	192.07809	142.5
[M]-	192.07919	142.5

Literature stripe

literature stripe

Patent stripe

patents stripe