CID 155943306

2680525-04-4

Structural Information

Molecular Formula

C₆H₁₄N₂OS

SMILES

CS(=N)(=O)CC1CC(C1)N

InChI

InChI=1S/C6H14N2OS/c1-10(8,9)4-5-2-6(7)3-5/h5-6,8H,2-4,7H2,1H3

InChIKey

GZWFPPCFGHIKIA-UHFFFAOYSA-N

Compound name

3-[(methylsulfonimidoyl)methyl]cyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 162.08269 Da
Monoisotopic Mass: 0.8
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]+	163.08997	135.2
[M+Na]+	185.07191	138.3
[M+NH4]+	180.11651	138.9
[M+K]+	201.04585	134.6
[M-H]-	161.07541	133.4
[M+Na-2H]-	183.05736	135.9
[M]+	162.08214	134.1
[M]-	162.08324	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.