CID 155978096

2742630-80-2

Structural Information

Molecular Formula

C₅H₁₂N₂OS

SMILES

CS(=N)(=O)C1CC(C1)N

InChI

InChI=1S/C5H12N2OS/c1-9(7,8)5-2-4(6)3-5/h4-5,7H,2-3,6H2,1H3

InChIKey

XYIAGBIJXICJTL-UHFFFAOYSA-N

Compound name

3-(methylsulfonimidoyl)cyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 148.06703 Da
Monoisotopic Mass: 0.6
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]+	149.07431	131.0
[M+Na]+	171.05625	134.3
[M+NH4]+	166.10085	134.8
[M+K]+	187.03019	130.8
[M-H]-	147.05975	129.1
[M+Na-2H]-	169.04170	131.8
[M]+	148.06648	129.8
[M]-	148.06758	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.