CID 115012872

2413878-52-9

Structural Information

Molecular Formula

C₆H₁₃NO₂S

SMILES

CS(=O)(=O)C1CC(C1)CN

InChI

InChI=1S/C6H13NO2S/c1-10(8,9)6-2-5(3-6)4-7/h5-6H,2-4,7H2,1H3

InChIKey

WDNUTQOTUAJFNU-UHFFFAOYSA-N

Compound name

(3-methylsulfonylcyclobutyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 163.0667 Da
Monoisotopic Mass: -0.5
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]+	164.073976	130.3
[M+Na]+	186.055918	135.5
[M-H]-	162.059424	133.2
[M+NH4]+	181.100523	144.2
[M+K]+	202.029858	137.0
[M+H-H2O]+	146.063960	119.3
[M+HCOO]-	208.064901	146.2
[M+CH3COO]-	222.080551	180.3
[M+Na-2H]-	184.041366	132.6
[M]+	163.06615142	138.5
[M]-	163.06724858	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.