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

6
Annotation Hits: 0
References: 3786
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]+	193.085916	138.3
[M+Na]+	215.067858	147.3
[M-H]-	191.071364	142.4
[M+NH4]+	210.112463	158.3
[M+K]+	231.041798	145.4
[M+H-H2O]+	175.075900	132.6
[M+HCOO]-	237.076841	163.4
[M+CH3COO]-	251.092491	184.0
[M+Na-2H]-	213.053306	144.3
[M]+	192.07809142	142.8
[M]-	192.07918858	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe