CID 3767712

882878-69-5

Structural Information

Molecular Formula

C₅H₁₁NS₂

SMILES

CC(C)(C)NC(=S)S

InChI

InChI=1S/C5H11NS2/c1-5(2,3)6-4(7)8/h1-3H3,(H2,6,7,8)

InChIKey

QFFINZFFTYSGSI-UHFFFAOYSA-N

Compound name

tert-butylcarbamodithioic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 149.0333 Da
Monoisotopic Mass: 1.7
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]+	150.04058	129.6
[M+Na]+	172.02252	136.6
[M-H]-	148.02602	130.0
[M+NH4]+	167.06712	151.2
[M+K]+	187.99646	133.9
[M+H-H2O]+	132.03056	124.7
[M+HCOO]-	194.03150	140.5
[M+CH3COO]-	208.04715	176.7
[M+Na-2H]-	170.00797	130.7
[M]+	149.03275	130.2
[M]-	149.03385	130.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe