CID 73099017

(3b,4b,5b)-4,5-epoxy-p-menth-1-en-3-ol 3-glucoside

Structural Information

Molecular Formula
C16H26O7
SMILES
CC1=CC(C2(C(C1)O2)C(C)C)OC3C(C(C(C(O3)CO)O)O)O
InChI
InChI=1S/C16H26O7/c1-7(2)16-10(4-8(3)5-11(16)23-16)22-15-14(20)13(19)12(18)9(6-17)21-15/h4,7,9-15,17-20H,5-6H2,1-3H3
InChIKey
BMTDVVBLRDGOJT-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-[(4-methyl-1-propan-2-yl-7-oxabicyclo[4.1.0]hept-3-en-2-yl)oxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.16785 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.17513 175.1
[M+Na]+ 353.15707 185.3
[M+NH4]+ 348.20167 182.4
[M+K]+ 369.13101 183.0
[M-H]- 329.16057 184.8
[M+Na-2H]- 351.14252 177.9
[M]+ 330.16730 180.4
[M]- 330.16840 180.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.