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]+ 349.18568 179.8
[M+Na]+ 371.16762 183.0
[M-H]- 347.17112 174.0
[M+NH4]+ 366.21222 195.6
[M+K]+ 387.14156 183.3
[M+H-H2O]+ 331.17566 175.4
[M+HCOO]- 393.17660 177.8
[M+CH3COO]- 407.19225 208.5
[M+Na-2H]- 369.15307 187.2
[M]+ 348.17785 182.2
[M]- 348.17895 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.