CID 22213760

58238-46-3

Structural Information

Molecular Formula
C9H16O6
SMILES
CC1(O[C@H]2[C@@H]([C@@H](CO[C@]2(O1)CO)O)O)C
InChI
InChI=1S/C9H16O6/c1-8(2)14-7-6(12)5(11)3-13-9(7,4-10)15-8/h5-7,10-12H,3-4H2,1-2H3/t5-,6-,7+,9+/m1/s1
InChIKey
OQIFFOZGAPOOCK-JAKMQLQISA-N
Compound name
(3aS,6R,7R,7aS)-3a-(hydroxymethyl)-2,2-dimethyl-5,6,7,7a-tetrahydro-[1,3]dioxolo[4,5-b]pyran-6,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

220.09468 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.10196 143.5
[M+Na]+ 243.08390 151.5
[M+NH4]+ 238.12850 152.4
[M+K]+ 259.05784 148.4
[M-H]- 219.08740 145.7
[M+Na-2H]- 241.06935 145.0
[M]+ 220.09413 145.3
[M]- 220.09523 145.3
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