CID 13235305

Tetrahydro-1h-cyclopenta[c]furan-5(3h)-one

Structural Information

Molecular Formula

C₇H₁₀O₂

SMILES

C1C2COCC2CC1=O

InChI

InChI=1S/C7H10O2/c8-7-1-5-3-9-4-6(5)2-7/h5-6H,1-4H2

InChIKey

YNDZEULKVPLNDE-UHFFFAOYSA-N

Compound name

1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 126.06808 Da
Monoisotopic Mass: -0.2
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]+	127.07536	124.2
[M+Na]+	149.05730	133.6
[M+NH4]+	144.10190	133.8
[M+K]+	165.03124	132.1
[M-H]-	125.06080	126.6
[M+Na-2H]-	147.04275	126.8
[M]+	126.06753	125.9
[M]-	126.06863	125.9

Literature stripe

literature stripe

Patent stripe

patents stripe