CID 75204

15317-78-9

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

2
Annotation Hits: 3
References: 591
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]+	206.10317	148.3
[M+Na]+	228.08511	155.5
[M+NH4]+	223.12971	156.6
[M+K]+	244.05905	147.5
[M-H]-	204.08861	148.8
[M+Na-2H]-	226.07056	149.5
[M]+	205.09534	150.2
[M]-	205.09644	150.2

Literature stripe

literature stripe

Patent stripe

patents stripe