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

50
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 135.7
[M+Na]+ 199.09408 143.2
[M-H]- 175.09758 137.6
[M+NH4]+ 194.13868 155.8
[M+K]+ 215.06802 143.8
[M+H-H2O]+ 159.10212 132.0
[M+HCOO]- 221.10306 153.1
[M+CH3COO]- 235.11871 175.6
[M+Na-2H]- 197.07953 141.0
[M]+ 176.10431 135.3
[M]- 176.10541 135.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.