PubChemLite - [(10z)-7,9-dihydroxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3ah-cyclodeca[b]furan-4-yl] (z)-2-methylbut-2-enoate (C20H26O6)

Structural Information

Molecular Formula

SMILES

C/C=C(/C)\C(=O)OC1CC(=C)C(CC(/C(=C\C2C1C(=C)C(=O)O2)/C)O)O

InChI

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

InChIKey

SDFKKMBWIQKUOQ-RXDMEISQSA-N

Compound name

[(10Z)-7,9-dihydroxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-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]+	363.18022	181.0
[M+Na]+	385.16216	187.4
[M-H]-	361.16566	181.0
[M+NH4]+	380.20676	192.0
[M+K]+	401.13610	184.8
[M+H-H2O]+	345.17020	180.4
[M+HCOO]-	407.17114	192.4
[M+CH3COO]-	421.18679	210.8
[M+Na-2H]-	383.14761	174.4
[M]+	362.17239	177.8
[M]-	362.17349	177.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

363.18022

181.0

[M+Na]+

385.16216

187.4

[M-H]-

361.16566

181.0

[M+NH4]+

380.20676

192.0

[M+K]+

401.13610

184.8

[M+H-H2O]+

345.17020

180.4

[M+HCOO]-

407.17114

192.4

[M+CH3COO]-

421.18679

210.8

[M+Na-2H]-

383.14761

174.4

[M]+

362.17239

177.8

[M]-

362.17349

177.8

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

[(10z)-7,9-dihydroxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3ah-cyclodeca[b]furan-4-yl] (z)-2-methylbut-2-enoate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe