CID 132312927

1-(aminomethyl)cyclobutane-1-sulfonamide hydrochloride

Structural Information

Molecular Formula

C₅H₁₂N₂O₂S

SMILES

C1CC(C1)(CN)S(=O)(=O)N

InChI

InChI=1S/C5H12N2O2S/c6-4-5(2-1-3-5)10(7,8)9/h1-4,6H2,(H2,7,8,9)

InChIKey

CJJIDZCAWCOWSC-UHFFFAOYSA-N

Compound name

1-(aminomethyl)cyclobutane-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 164.06195 Da
Monoisotopic Mass: -1.3
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]+	165.069226	132.6
[M+Na]+	187.051168	136.8
[M-H]-	163.054674	134.6
[M+NH4]+	182.095773	147.1
[M+K]+	203.025108	138.3
[M+H-H2O]+	147.059210	121.9
[M+HCOO]-	209.060151	148.8
[M+CH3COO]-	223.075801	180.1
[M+Na-2H]-	185.036616	136.5
[M]+	164.06140142	138.5
[M]-	164.06249858	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.