CID 3050818

Dibutyldithiocarbamic acid s-tributylstannyl ester

Structural Information

Molecular Formula

C₂₁H₄₅NS₂Sn

SMILES

CCCCN(CCCC)C(=S)S[Sn](CCCC)(CCCC)CCCC

InChI

InChI=1S/C9H19NS2.3C4H9.Sn/c1-3-5-7-10(9(11)12)8-6-4-2;3*1-3-4-2;/h3-8H2,1-2H3,(H,11,12);3*1,3-4H2,2H3;/q;;;;+1/p-1

InChIKey

NJHPQIDQPWDVKE-UHFFFAOYSA-M

Compound name

tributylstannyl N,N-dibutylcarbamodithioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 495.20154 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

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]+	496.208816	220.8
[M+Na]+	518.190758	219.9
[M-H]-	494.194264	218.4
[M+NH4]+	513.235363	232.5
[M+K]+	534.164698	213.9
[M+H-H2O]+	478.198800	211.4
[M+HCOO]-	540.199741	225.8
[M+CH3COO]-	554.215391	233.7
[M+Na-2H]-	516.176206	212.0
[M]+	495.20099142	228.9
[M]-	495.20208858	228.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe