CID 62990

5306-85-4

Structural Information

Molecular Formula

C₈H₁₄O₄

SMILES

CO[C@@H]1CO[C@H]2[C@@H]1OC[C@@H]2OC

InChI

InChI=1S/C8H14O4/c1-9-5-3-11-8-6(10-2)4-12-7(5)8/h5-8H,3-4H2,1-2H3/t5-,6+,7-,8-/m1/s1

InChIKey

MEJYDZQQVZJMPP-ULAWRXDQSA-N

Compound name

(3S,3aR,6R,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 18
References: 22726
Patents: 174.0892 Da
Monoisotopic Mass: -0.6
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]+	175.09648	134.0
[M+Na]+	197.07842	143.0
[M+NH4]+	192.12302	142.4
[M+K]+	213.05236	143.1
[M-H]-	173.08192	136.9
[M+Na-2H]-	195.06387	134.9
[M]+	174.08865	135.9
[M]-	174.08975	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe