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
3
Annotation Hits

18
References

24265
Patents

174.0892 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09648 134.4
[M+Na]+ 197.07842 142.1
[M-H]- 173.08192 140.0
[M+NH4]+ 192.12302 156.8
[M+K]+ 213.05236 144.3
[M+H-H2O]+ 157.08646 131.0
[M+HCOO]- 219.08740 155.2
[M+CH3COO]- 233.10305 177.9
[M+Na-2H]- 195.06387 139.3
[M]+ 174.08865 137.7
[M]- 174.08975 137.7
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