CID 442471

Evodone

Structural Information

Molecular Formula

C₁₀H₁₂O₂

SMILES

C[C@H]1CC2=C(C(=CO2)C)C(=O)C1

InChI

InChI=1S/C10H12O2/c1-6-3-8(11)10-7(2)5-12-9(10)4-6/h5-6H,3-4H2,1-2H3/t6-/m1/s1

InChIKey

SMUXTLISYBPIAU-ZCFIWIBFSA-N

Compound name

(6S)-3,6-dimethyl-6,7-dihydro-5H-1-benzofuran-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 164.08372 Da
Monoisotopic Mass: 1.9
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]+	165.09100	132.3
[M+Na]+	187.07294	144.9
[M+NH4]+	182.11754	141.8
[M+K]+	203.04688	140.6
[M-H]-	163.07644	135.8
[M+Na-2H]-	185.05839	136.6
[M]+	164.08317	135.1
[M]-	164.08427	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe