CID 75306307

Perilloside e

Structural Information

Molecular Formula
C17H22O9
SMILES
COC1=C(C2=C(C=C1CC=C)OCO2)OC3C(C(C(C(O3)CO)O)O)O
InChI
InChI=1S/C17H22O9/c1-3-4-8-5-9-15(24-7-23-9)16(14(8)22-2)26-17-13(21)12(20)11(19)10(6-18)25-17/h3,5,10-13,17-21H,1,4,6-7H2,2H3
InChIKey
TUDSCAUWKFENRC-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-6-[(5-methoxy-6-prop-2-enyl-1,3-benzodioxol-4-yl)oxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.12637 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.13365 182.9
[M+Na]+ 393.11559 189.0
[M-H]- 369.11909 187.5
[M+NH4]+ 388.16019 191.5
[M+K]+ 409.08953 189.5
[M+H-H2O]+ 353.12363 177.3
[M+HCOO]- 415.12457 193.6
[M+CH3COO]- 429.14022 210.4
[M+Na-2H]- 391.10104 183.0
[M]+ 370.12582 187.0
[M]- 370.12692 187.0
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.