CID 20831812

Isoeugenyl formate

Structural Information

Molecular Formula

C₁₁H₁₂O₃

SMILES

C/C=C\C1=CC(=C(C=C1)OC=O)OC

InChI

InChI=1S/C11H12O3/c1-3-4-9-5-6-10(14-8-12)11(7-9)13-2/h3-8H,1-2H3/b4-3-

InChIKey

QUUXIMKMPYPPDM-ARJAWSKDSA-N

Compound name

[2-methoxy-4-[(Z)-prop-1-enyl]phenyl] formate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 54
Patents: 192.07864 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]+	193.08592	140.5
[M+Na]+	215.06786	153.6
[M+NH4]+	210.11246	148.2
[M+K]+	231.04180	146.8
[M-H]-	191.07136	142.0
[M+Na-2H]-	213.05331	146.8
[M]+	192.07809	142.7
[M]-	192.07919	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe