CID 11018883

88938-72-1

Structural Information

Molecular Formula

C₆H₈O₃

SMILES

C1CO[C@@H]2[C@H]1CC(=O)O2

InChI

InChI=1S/C6H8O3/c7-5-3-4-1-2-8-6(4)9-5/h4,6H,1-3H2/t4-,6+/m1/s1

InChIKey

IADWRRHAUNBWTI-XINAWCOVSA-N

Compound name

(3aR,6aS)-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 128.04735 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]+	129.054626	121.5
[M+Na]+	151.036568	129.6
[M-H]-	127.040074	127.1
[M+NH4]+	146.081173	145.4
[M+K]+	167.010508	131.3
[M+H-H2O]+	111.044610	118.3
[M+HCOO]-	173.045551	143.0
[M+CH3COO]-	187.061201	167.8
[M+Na-2H]-	149.022016	127.9
[M]+	128.04680142	121.5
[M]-	128.04789858	121.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe