CID 12303303

Alpha-l-cladinose

Structural Information

Molecular Formula
C8H16O4
SMILES
C[C@H]1[C@@H]([C@](C[C@@H](O1)O)(C)OC)O
InChI
InChI=1S/C8H16O4/c1-5-7(10)8(2,11-3)4-6(9)12-5/h5-7,9-10H,4H2,1-3H3/t5-,6+,7-,8+/m0/s1
InChIKey
YHVUVJYEERGYNU-FKSUSPILSA-N
Compound name
(2R,4R,5S,6S)-4-methoxy-4,6-dimethyloxane-2,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

176.10486 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.11214 136.0
[M+Na]+ 199.09408 146.1
[M+NH4]+ 194.13868 144.6
[M+K]+ 215.06802 140.8
[M-H]- 175.09758 137.3
[M+Na-2H]- 197.07953 139.9
[M]+ 176.10431 137.7
[M]- 176.10541 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