CID 9989831

Meddc sulfine

Structural Information

Molecular Formula

C₆H₁₃NOS₂

SMILES

CCN(CC)C(=S=O)SC

InChI

InChI=1S/C6H13NOS2/c1-4-7(5-2)6(9-3)10-8/h4-5H2,1-3H3

InChIKey

RSPAUUVFJFPEHQ-UHFFFAOYSA-N

Compound name

N-ethyl-N-[methylsulfanyl(sulfinyl)methyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 0
Patents: 179.04385 Da
Monoisotopic Mass: 1.9
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]+	180.051126	136.4
[M+Na]+	202.033068	143.0
[M-H]-	178.036574	137.9
[M+NH4]+	197.077673	157.4
[M+K]+	218.007008	140.9
[M+H-H2O]+	162.041110	130.5
[M+HCOO]-	224.042051	149.3
[M+CH3COO]-	238.057701	183.3
[M+Na-2H]-	200.018516	135.9
[M]+	179.04330142	139.8
[M]-	179.04439858	139.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.