PubChemLite - 60659-60-1 (C44H80O8Sn)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCOC(=O)/C=C\C(=O)O[Sn](OC(=O)/C=C\C(=O)OCCCCCCCCCCCCCC)(CCCC)CCCC

InChI

InChI=1S/2C18H32O4.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18(21)15-14-17(19)20;2*1-3-4-2;/h2*14-15H,2-13,16H2,1H3,(H,19,20);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*15-14-;;;

InChIKey

PRLCKJLONDXDMA-POUCYOBESA-L

Compound name

4-O-[dibutyl-[(Z)-4-oxo-4-tetradecoxybut-2-enoyl]oxystannyl] 1-O-tetradecyl (Z)-but-2-enedioate

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]+	857.49483	303.6
[M+Na]+	879.47677	309.2
[M-H]-	855.48027	295.9
[M+NH4]+	874.52137	315.1
[M+K]+	895.45071	314.4
[M+H-H2O]+	839.48481	303.2
[M+HCOO]-	901.48575	305.2
[M+CH3COO]-	915.50140	292.3
[M+Na-2H]-	877.46222	284.4
[M]+	856.48700	304.0
[M]-	856.48810	304.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

857.49483

303.6

[M+Na]+

879.47677

309.2

[M-H]-

855.48027

295.9

[M+NH4]+

874.52137

315.1

[M+K]+

895.45071

314.4

[M+H-H2O]+

839.48481

303.2

[M+HCOO]-

901.48575

305.2

[M+CH3COO]-

915.50140

292.3

[M+Na-2H]-

877.46222

284.4

[M]+

856.48700

304.0

[M]-

856.48810

304.0

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

60659-60-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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