CID 101409158

Ilexlactone

Structural Information

Molecular Formula

C₈H₈O₃

SMILES

C1C(C=C2C1OC(=O)C=C2)O

InChI

InChI=1S/C8H8O3/c9-6-3-5-1-2-8(10)11-7(5)4-6/h1-3,6-7,9H,4H2

InChIKey

OILJPEOTAOIWTL-UHFFFAOYSA-N

Compound name

6-hydroxy-7,7a-dihydro-6H-cyclopenta[b]pyran-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 152.04735 Da
Monoisotopic Mass: -0.1
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]+	153.054626	126.2
[M+Na]+	175.036568	135.2
[M-H]-	151.040074	130.5
[M+NH4]+	170.081173	148.5
[M+K]+	191.010508	134.2
[M+H-H2O]+	135.044610	122.0
[M+HCOO]-	197.045551	147.4
[M+CH3COO]-	211.061201	171.3
[M+Na-2H]-	173.022016	133.0
[M]+	152.04680142	125.7
[M]-	152.04789858	125.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.