CID 73815050

(1s,2s,4r)-1,8-epoxy-p-menthan-2-ol glucoside

Structural Information

Molecular Formula
C16H28O7
SMILES
CC1(C2CCC(O1)(C(C2)OC3C(C(C(C(O3)CO)O)O)O)C)C
InChI
InChI=1S/C16H28O7/c1-15(2)8-4-5-16(3,23-15)10(6-8)22-14-13(20)12(19)11(18)9(7-17)21-14/h8-14,17-20H,4-7H2,1-3H3
InChIKey
NWZYTZHMCGWGOF-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-[(1,3,3-trimethyl-2-oxabicyclo[2.2.2]octan-6-yl)oxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4
Patents

332.1835 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.190776 176.9
[M+Na]+ 355.172718 180.8
[M-H]- 331.176224 172.5
[M+NH4]+ 350.217323 194.2
[M+K]+ 371.146658 180.9
[M+H-H2O]+ 315.180760 172.2
[M+HCOO]- 377.181701 176.2
[M+CH3COO]- 391.197351 207.9
[M+Na-2H]- 353.158166 184.2
[M]+ 332.18295142 179.3
[M]- 332.18404858 179.3
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.