CID 9942150

(3r,3as,6ar)-hexahydrofuro[2,3-b]furan-3-ol

Structural Information

Molecular Formula
C6H10O3
SMILES
C1CO[C@H]2[C@@H]1[C@H](CO2)O
InChI
InChI=1S/C6H10O3/c7-5-3-9-6-4(5)1-2-8-6/h4-7H,1-3H2/t4-,5-,6+/m0/s1
InChIKey
RCDXYCHYMULCDZ-HCWXCVPCSA-N
Compound name
(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

461
Patents

130.06299 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.070266 123.3
[M+Na]+ 153.052208 130.6
[M-H]- 129.055714 127.5
[M+NH4]+ 148.096813 146.5
[M+K]+ 169.026148 132.0
[M+H-H2O]+ 113.060250 120.2
[M+HCOO]- 175.061191 143.0
[M+CH3COO]- 189.076841 166.0
[M+Na-2H]- 151.037656 129.2
[M]+ 130.06244142 122.1
[M]- 130.06353858 122.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe