CID 135313925

2243505-47-5

Structural Information

Molecular Formula

C₃H₁₀N₂OS

SMILES

CS(=N)(=O)CCN

InChI

InChI=1S/C3H10N2OS/c1-7(5,6)3-2-4/h5H,2-4H2,1H3

InChIKey

PPGJJYKGPBMLBB-UHFFFAOYSA-N

Compound name

2-(methylsulfonimidoyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 122.051384 Da
Monoisotopic Mass: -0.1
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]+	123.05866	122.0
[M+Na]+	145.04060	129.5
[M-H]-	121.04411	122.3
[M+NH4]+	140.08521	143.9
[M+K]+	161.01454	127.7
[M+H-H2O]+	105.04864	117.2
[M+HCOO]-	167.04958	141.4
[M+CH3COO]-	181.06524	171.4
[M+Na-2H]-	143.02605	127.0
[M]+	122.05084	120.9
[M]-	122.05193	120.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe