CID 14344497

Dihydromintlactone

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

CC1CCC2C(C(=O)OC2C1)C

InChI

InChI=1S/C10H16O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h6-9H,3-5H2,1-2H3

InChIKey

FGDINYRLQOKVQS-UHFFFAOYSA-N

Compound name

3,6-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 373
Patents: 168.11504 Da
Monoisotopic Mass: 2.5
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]+	169.12232	135.8
[M+Na]+	191.10426	146.5
[M+NH4]+	186.14886	145.2
[M+K]+	207.07820	142.6
[M-H]-	167.10776	138.9
[M+Na-2H]-	189.08971	138.2
[M]+	168.11449	138.0
[M]-	168.11559	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe