CID 73809752

(1s,2s,4r)-p-menth-8-ene-1,2,10-triol 2-glucoside

Structural Information

Molecular Formula
C16H28O8
SMILES
CC1(CCC(CC1OC2C(C(C(C(O2)CO)O)O)O)C(=C)CO)O
InChI
InChI=1S/C16H28O8/c1-8(6-17)9-3-4-16(2,22)11(5-9)24-15-14(21)13(20)12(19)10(7-18)23-15/h9-15,17-22H,1,3-7H2,2H3
InChIKey
DDQFHDNWZKJNLC-UHFFFAOYSA-N
Compound name
2-[2-hydroxy-5-(3-hydroxyprop-1-en-2-yl)-2-methylcyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.1784 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.18568 180.7
[M+Na]+ 371.16762 183.4
[M-H]- 347.17112 179.1
[M+NH4]+ 366.21222 190.5
[M+K]+ 387.14156 182.0
[M+H-H2O]+ 331.17566 175.8
[M+HCOO]- 393.17660 186.1
[M+CH3COO]- 407.19225 202.4
[M+Na-2H]- 369.15307 177.3
[M]+ 348.17785 175.2
[M]- 348.17895 175.2
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.