CID 11126247

38110-76-8

Structural Information

Molecular Formula

C₇H₈O₂

SMILES

C1C=C[C@H]2[C@@H]1CC(=O)O2

InChI

InChI=1S/C7H8O2/c8-7-4-5-2-1-3-6(5)9-7/h1,3,5-6H,2,4H2/t5-,6-/m0/s1

InChIKey

VWOKDZDCDYTHCT-WDSKDSINSA-N

Compound name

(3aS,6aR)-3,3a,4,6a-tetrahydrocyclopenta[b]furan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 124.05243 Da
Monoisotopic Mass: 0.8
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]+	125.05971	121.9
[M+Na]+	147.04165	130.6
[M-H]-	123.04515	127.2
[M+NH4]+	142.08625	147.4
[M+K]+	163.01559	130.6
[M+H-H2O]+	107.04969	118.2
[M+HCOO]-	169.05063	145.3
[M+CH3COO]-	183.06628	168.2
[M+Na-2H]-	145.02710	127.8
[M]+	124.05188	121.6
[M]-	124.05298	121.6

Literature stripe

literature stripe

Patent stripe

patents stripe