PubChemLite - (z)-ethylidene(tetramethyl)[?] (C24H38O2)

Structural Information

Molecular Formula

SMILES

C/C=C\1/CCC23C[C@H]1C[C@@H]2CC[C@@H]4[C@@]3(CC[C@@H]5[C@]4(COC(O5)(C)C)C)C

InChI

InChI=1S/C24H38O2/c1-6-16-9-12-24-14-17(16)13-18(24)7-8-19-22(4)15-25-21(2,3)26-20(22)10-11-23(19,24)5/h6,17-20H,7-15H2,1-5H3/b16-6-/t17-,18+,19+,20-,22+,23+,24?/m1/s1

InChIKey

HUOXOIKGQOEYDT-MYXYDZNGSA-N

Compound name

(2S,5R,10R,11R,14S,16R,17Z)-17-ethylidene-2,7,7,10-tetramethyl-6,8-dioxapentacyclo[14.3.1.01,14.02,11.05,10]icosane

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]+	359.29445	187.4
[M+Na]+	381.27639	192.2
[M-H]-	357.27989	191.9
[M+NH4]+	376.32099	210.7
[M+K]+	397.25033	187.8
[M+H-H2O]+	341.28443	178.6
[M+HCOO]-	403.28537	190.0
[M+CH3COO]-	417.30102	195.1
[M+Na-2H]-	379.26184	188.7
[M]+	358.28662	181.2
[M]-	358.28772	181.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

359.29445

187.4

[M+Na]+

381.27639

192.2

[M-H]-

357.27989

191.9

[M+NH4]+

376.32099

210.7

[M+K]+

397.25033

187.8

[M+H-H2O]+

341.28443

178.6

[M+HCOO]-

403.28537

190.0

[M+CH3COO]-

417.30102

195.1

[M+Na-2H]-

379.26184

188.7

[M]+

358.28662

181.2

[M]-

358.28772

181.2

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

(z)-ethylidene(tetramethyl)[?]

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe