CID 13561038

13374-44-2

Structural Information

Molecular Formula
C12H18O6
SMILES
C1[C@H]([C@@H]2[C@H](O1)[C@H](CO2)OCC3CO3)OCC4CO4
InChI
InChI=1S/C12H18O6/c1-7(13-1)3-15-9-5-17-12-10(6-18-11(9)12)16-4-8-2-14-8/h7-12H,1-6H2/t7?,8?,9-,10+,11-,12-/m1/s1
InChIKey
JEBWAOITKHXCBF-BEAPMJEYSA-N
Compound name
(3S,3aR,6R,6aR)-3,6-bis(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

513
Patents

258.11035 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.11763 155.6
[M+Na]+ 281.09957 162.7
[M-H]- 257.10307 167.4
[M+NH4]+ 276.14417 160.8
[M+K]+ 297.07351 165.7
[M+H-H2O]+ 241.10761 151.5
[M+HCOO]- 303.10855 169.1
[M+CH3COO]- 317.12420 166.1
[M+Na-2H]- 279.08502 158.8
[M]+ 258.10980 165.0
[M]- 258.11090 165.0
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