CID 11600708

866594-60-7

Structural Information

Molecular Formula

C₇H₁₀O₄

SMILES

CO[C@@H]1[C@H]2CC(=O)O[C@H]2CO1

InChI

InChI=1S/C7H10O4/c1-9-7-4-2-6(8)11-5(4)3-10-7/h4-5,7H,2-3H2,1H3/t4-,5-,7-/m0/s1

InChIKey

LQEIOPTZKCKTPQ-VPLCAKHXSA-N

Compound name

(3aS,4S,6aR)-4-methoxy-3a,4,6,6a-tetrahydro-3H-furo[2,3-c]furan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 158.0579 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]+	159.065176	128.4
[M+Na]+	181.047118	136.9
[M-H]-	157.050624	134.2
[M+NH4]+	176.091723	151.4
[M+K]+	197.021058	138.8
[M+H-H2O]+	141.055160	125.3
[M+HCOO]-	203.056101	149.7
[M+CH3COO]-	217.071751	174.1
[M+Na-2H]-	179.032566	133.9
[M]+	158.05735142	130.7
[M]-	158.05844858	130.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe