CID 853433

Isoeugenol

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

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

InChI

InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3/b4-3+

InChIKey

BJIOGJUNALELMI-ONEGZZNKSA-N

Compound name

2-methoxy-4-[(E)-prop-1-enyl]phenol

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 426
References: 26379
Patents: 164.08372 Da
Monoisotopic Mass: 2.6
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]+	165.09100	134.1
[M+Na]+	187.07294	147.3
[M+NH4]+	182.11754	142.5
[M+K]+	203.04688	140.6
[M-H]-	163.07644	135.9
[M+Na-2H]-	185.05839	140.7
[M]+	164.08317	136.5
[M]-	164.08427	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe