PubChemLite - 15-hydroxyleptocarpin (C20H26O7)

Structural Information

Molecular Formula

SMILES

C/C=C(/C)\C(=O)OC1CC2(C(O2)CC(/C(=C\C3C1C(=C)C(=O)O3)/CO)O)C

InChI

InChI=1S/C20H26O7/c1-5-10(2)18(23)26-15-8-20(4)16(27-20)7-13(22)12(9-21)6-14-17(15)11(3)19(24)25-14/h5-6,13-17,21-22H,3,7-9H2,1-2,4H3/b10-5-,12-6-

InChIKey

WRYLLOROOPMFIC-ZIIBAIFASA-N

Compound name

[(9Z)-8-hydroxy-9-(hydroxymethyl)-4-methyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] (Z)-2-methylbut-2-enoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	379.17513	182.3
[M+Na]+	401.15707	191.1
[M+NH4]+	396.20167	187.7
[M+K]+	417.13101	190.0
[M-H]-	377.16057	189.8
[M+Na-2H]-	399.14252	182.6
[M]+	378.16730	186.3
[M]-	378.16840	186.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

379.17513

182.3

[M+Na]+

401.15707

191.1

[M+NH4]+

396.20167

187.7

[M+K]+

417.13101

190.0

[M-H]-

377.16057

189.8

[M+Na-2H]-

399.14252

182.6

[M]+

378.16730

186.3

[M]-

378.16840

186.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

15-hydroxyleptocarpin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe