CID 46201433

149429-50-5

Structural Information

Molecular Formula

C₆H₆O₄

SMILES

C1[C@@H]2[C@H](CO1)C(=O)OC2=O

InChI

InChI=1S/C6H6O4/c7-5-3-1-9-2-4(3)6(8)10-5/h3-4H,1-2H2/t3-,4+

InChIKey

NEOVTTNLKPSNCL-ZXZARUISSA-N

Compound name

(3aR,6aS)-1,3,3a,6a-tetrahydrofuro[3,4-c]furan-4,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 142.02661 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]+	143.03389	124.2
[M+Na]+	165.01583	133.7
[M+NH4]+	160.06043	132.4
[M+K]+	180.98977	134.0
[M-H]-	141.01933	126.7
[M+Na-2H]-	163.00128	125.4
[M]+	142.02606	125.9
[M]-	142.02716	125.9

Literature stripe

literature stripe

Patent stripe

patents stripe