CID 85266295

1,8-epoxy-p-menthan-4-ol glucoside

Structural Information

Molecular Formula
C16H28O7
SMILES
CC1(C2(CCC(O1)(CC2)C)OC3C(C(C(C(O3)CO)O)O)O)C
InChI
InChI=1S/C16H28O7/c1-14(2)16(6-4-15(3,23-14)5-7-16)22-13-12(20)11(19)10(18)9(8-17)21-13/h9-13,17-20H,4-8H2,1-3H3
InChIKey
XFTUHHQPFOUYRF-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-[(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-4-yl)oxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1835 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.19078 176.2
[M+Na]+ 355.17272 180.6
[M-H]- 331.17622 171.9
[M+NH4]+ 350.21732 195.3
[M+K]+ 371.14666 180.7
[M+H-H2O]+ 315.18076 171.5
[M+HCOO]- 377.18170 175.6
[M+CH3COO]- 391.19735 206.3
[M+Na-2H]- 353.15817 185.4
[M]+ 332.18295 178.9
[M]- 332.18405 178.9
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

No patent data available for this compound.