CID 13235305

141283-36-5

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: 9
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]+	127.075356	124.0
[M+Na]+	149.057298	131.7
[M-H]-	125.060804	128.9
[M+NH4]+	144.101903	149.4
[M+K]+	165.031238	131.8
[M+H-H2O]+	109.065340	120.3
[M+HCOO]-	171.066281	145.9
[M+CH3COO]-	185.081931	168.6
[M+Na-2H]-	147.042746	128.9
[M]+	126.06753142	122.3
[M]-	126.06862858	122.3

Literature stripe

literature stripe

Patent stripe

patents stripe