CID 85170188

(1s,2s,4s)-1,8-epoxy-p-menthane-2,7-diol 2-o-b-d-glucoside

Structural Information

Molecular Formula
C16H28O8
SMILES
CC1(C2CCC(O1)(C(C2)OC3C(C(C(C(O3)CO)O)O)O)CO)C
InChI
InChI=1S/C16H28O8/c1-15(2)8-3-4-16(7-18,24-15)10(5-8)23-14-13(21)12(20)11(19)9(6-17)22-14/h8-14,17-21H,3-7H2,1-2H3
InChIKey
IULDBYINDUBFDT-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-[[1-(hydroxymethyl)-3,3-dimethyl-2-oxabicyclo[2.2.2]octan-6-yl]oxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.1784 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.185676 179.8
[M+Na]+ 371.167618 183.0
[M-H]- 347.171124 174.0
[M+NH4]+ 366.212223 195.6
[M+K]+ 387.141558 183.3
[M+H-H2O]+ 331.175660 175.4
[M+HCOO]- 393.176601 177.8
[M+CH3COO]- 407.192251 208.5
[M+Na-2H]- 369.153066 187.2
[M]+ 348.17785142 182.2
[M]- 348.17894858 182.2
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.