CID 155978096

2751608-20-3

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]+	149.074306	128.5
[M+Na]+	171.056248	133.2
[M-H]-	147.059754	131.3
[M+NH4]+	166.100853	142.5
[M+K]+	187.030188	134.4
[M+H-H2O]+	131.064290	116.8
[M+HCOO]-	193.065231	145.2
[M+CH3COO]-	207.080881	180.2
[M+Na-2H]-	169.041696	131.3
[M]+	148.06648142	134.0
[M]-	148.06757858	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.