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
2
Annotation Hits

0
References

0
Patents

332.1835 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.19078 176.9
[M+Na]+ 355.17272 180.8
[M-H]- 331.17622 172.5
[M+NH4]+ 350.21732 194.2
[M+K]+ 371.14666 180.9
[M+H-H2O]+ 315.18076 172.2
[M+HCOO]- 377.18170 176.2
[M+CH3COO]- 391.19735 207.9
[M+Na-2H]- 353.15817 184.2
[M]+ 332.18295 179.3
[M]- 332.18405 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.