CID 72677

Carbamodithioic acid, bis(1-methylethyl)-, sodium salt

Structural Information

Molecular Formula

C₇H₁₅NS₂

SMILES

CC(C)N(C(C)C)C(=S)S

InChI

InChI=1S/C7H15NS2/c1-5(2)8(6(3)4)7(9)10/h5-6H,1-4H3,(H,9,10)

InChIKey

GWXMDJKGVWQLBZ-UHFFFAOYSA-N

Compound name

di(propan-2-yl)carbamodithioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 636
Patents: 177.06459 Da
Monoisotopic Mass: 2.5
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]+	178.07187	137.0
[M+Na]+	200.05381	142.3
[M-H]-	176.05731	138.5
[M+NH4]+	195.09841	157.9
[M+K]+	216.02775	141.2
[M+H-H2O]+	160.06185	131.2
[M+HCOO]-	222.06279	147.0
[M+CH3COO]-	236.07844	188.3
[M+Na-2H]-	198.03926	134.1
[M]+	177.06404	139.1
[M]-	177.06514	139.1

Literature stripe

literature stripe

Patent stripe

patents stripe