PubChemLite - Leptocarpin (C20H26O6)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C20H26O6/c1-6-10(2)18(22)25-15-9-20(5)16(26-20)8-13(21)11(3)7-14-17(15)12(4)19(23)24-14/h6-7,13-17,21H,4,8-9H2,1-3,5H3/b10-6+,11-7-

InChIKey

DZTWAOVNNLDWNH-QZTBCQRESA-N

Compound name

[(9Z)-8-hydroxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] (E)-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]+	363.18022	179.0
[M+Na]+	385.16216	188.8
[M+NH4]+	380.20676	185.3
[M+K]+	401.13610	187.0
[M-H]-	361.16566	187.4
[M+Na-2H]-	383.14761	180.2
[M]+	362.17239	183.5
[M]-	362.17349	183.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

363.18022

179.0

[M+Na]+

385.16216

188.8

[M+NH4]+

380.20676

185.3

[M+K]+

401.13610

187.0

[M-H]-

361.16566

187.4

[M+Na-2H]-

383.14761

180.2

[M]+

362.17239

183.5

[M]-

362.17349

183.5

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

Leptocarpin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe