CID 5459767

(-)-menthyl o-beta-d-glucoside

Structural Information

Molecular Formula
C16H30O6
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)C(C)C
InChI
InChI=1S/C16H30O6/c1-8(2)10-5-4-9(3)6-11(10)21-16-15(20)14(19)13(18)12(7-17)22-16/h8-20H,4-7H2,1-3H3/t9-,10+,11-,12-,13-,14+,15-,16-/m1/s1
InChIKey
GZSDZJZIZBGBON-NZZARTGWSA-N
Compound name
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

30
Patents

318.20422 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.211496 177.4
[M+Na]+ 341.193438 180.0
[M-H]- 317.196944 178.4
[M+NH4]+ 336.238043 188.1
[M+K]+ 357.167378 178.9
[M+H-H2O]+ 301.201480 171.3
[M+HCOO]- 363.202421 185.4
[M+CH3COO]- 377.218071 202.4
[M+Na-2H]- 339.178886 172.7
[M]+ 318.20367142 172.6
[M]- 318.20476858 172.6
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