CID 160199

Oudenone

Structural Information

Molecular Formula

C₁₂H₁₆O₃

SMILES

CCC[C@H]1CCC(=C2C(=O)CCC2=O)O1

InChI

InChI=1S/C12H16O3/c1-2-3-8-4-7-11(15-8)12-9(13)5-6-10(12)14/h8H,2-7H2,1H3/t8-/m0/s1

InChIKey

AFHDYMGMZUYZQT-QMMMGPOBSA-N

Compound name

2-[(5S)-5-propyloxolan-2-ylidene]cyclopentane-1,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 98
Patents: 208.10994 Da
Monoisotopic Mass: 1.6
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]+	209.11722	148.4
[M+Na]+	231.09916	157.2
[M+NH4]+	226.14376	155.8
[M+K]+	247.07310	155.5
[M-H]-	207.10266	151.1
[M+Na-2H]-	229.08461	150.3
[M]+	208.10939	150.0
[M]-	208.11049	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe