CID 89734616

1363376-98-0

Structural Information

Molecular Formula

C₄H₁₁NS₂

SMILES

C(CS)[C@@H](CS)N

InChI

InChI=1S/C4H11NS2/c5-4(3-7)1-2-6/h4,6-7H,1-3,5H2/t4-/m0/s1

InChIKey

VGLCUHJZKWYDPC-BYPYZUCNSA-N

Compound name

(2S)-2-aminobutane-1,4-dithiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1197
Patents: 137.0333 Da
Monoisotopic Mass: 0.3
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]+	138.04058	124.7
[M+Na]+	160.02252	131.4
[M-H]-	136.02602	124.4
[M+NH4]+	155.06712	146.4
[M+K]+	175.99646	128.8
[M+H-H2O]+	120.03056	119.4
[M+HCOO]-	182.03150	136.6
[M+CH3COO]-	196.04715	175.1
[M+Na-2H]-	158.00797	124.7
[M]+	137.03275	125.3
[M]-	137.03385	125.3

Literature stripe

literature stripe

Patent stripe

patents stripe