CID 75204

Bis(diisobutyldithiocarbamato)nickel

Structural Information

Molecular Formula

C₉H₁₉NS₂

SMILES

CC(C)CN(CC(C)C)C(=S)S

InChI

InChI=1S/C9H19NS2/c1-7(2)5-10(9(11)12)6-8(3)4/h7-8H,5-6H2,1-4H3,(H,11,12)

InChIKey

CBQPQMSTIARRSA-UHFFFAOYSA-N

Compound name

bis(2-methylpropyl)carbamodithioic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 705
Patents: 205.09589 Da
Monoisotopic Mass: 3.6
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]+	206.103166	145.7
[M+Na]+	228.085108	150.2
[M-H]-	204.088614	146.8
[M+NH4]+	223.129713	165.5
[M+K]+	244.059048	148.5
[M+H-H2O]+	188.093150	139.5
[M+HCOO]-	250.094091	155.1
[M+CH3COO]-	264.109741	194.1
[M+Na-2H]-	226.070556	141.9
[M]+	205.09534142	148.5
[M]-	205.09643858	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe