CID 85382765

(4s,6r)-p-mentha-1,8-diene-6,7-diol 7-glucoside

Structural Information

Molecular Formula
C16H26O7
SMILES
CC(=C)C1CC=C(C(C1)O)COC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C16H26O7/c1-8(2)9-3-4-10(11(18)5-9)7-22-16-15(21)14(20)13(19)12(6-17)23-16/h4,9,11-21H,1,3,5-7H2,2H3
InChIKey
FOPFIQVPEVWICE-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-[(6-hydroxy-4-prop-1-en-2-ylcyclohexen-1-yl)methoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.16785 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.17513 177.4
[M+Na]+ 353.15707 180.6
[M-H]- 329.16057 177.3
[M+NH4]+ 348.20167 186.7
[M+K]+ 369.13101 178.6
[M+H-H2O]+ 313.16511 171.1
[M+HCOO]- 375.16605 185.7
[M+CH3COO]- 389.18170 201.7
[M+Na-2H]- 351.14252 173.3
[M]+ 330.16730 173.0
[M]- 330.16840 173.0
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.