CID 62475081

1787940-86-6

Structural Information

Molecular Formula

C₆H₁₃NO₂S

SMILES

CS(=O)(=O)C1(CCC1)CN

InChI

InChI=1S/C6H13NO2S/c1-10(8,9)6(5-7)3-2-4-6/h2-5,7H2,1H3

InChIKey

UXENEQXPIJMSQF-UHFFFAOYSA-N

Compound name

(1-methylsulfonylcyclobutyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 163.0667 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]+	164.073976	131.4
[M+Na]+	186.055918	136.5
[M-H]-	162.059424	134.2
[M+NH4]+	181.100523	146.9
[M+K]+	202.029858	138.1
[M+H-H2O]+	146.063960	121.6
[M+HCOO]-	208.064901	147.3
[M+CH3COO]-	222.080551	178.8
[M+Na-2H]-	184.041366	135.8
[M]+	163.06615142	139.7
[M]-	163.06724858	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe