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 172.0
[M+Na]+ 353.15707 179.5
[M-H]- 329.16057 176.4
[M+NH4]+ 348.20167 179.8
[M+K]+ 369.13101 178.9
[M+H-H2O]+ 313.16511 167.3
[M+HCOO]- 375.16605 180.2
[M+CH3COO]- 389.18170 206.7
[M+Na-2H]- 351.14252 173.4
[M]+ 330.16730 176.1
[M]- 330.16840 176.1
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.