CID 58684975

3-amino-n-methylpropane-1-sulfonamide hydrochloride

Structural Information

Molecular Formula

C₄H₁₂N₂O₂S

SMILES

CNS(=O)(=O)CCCN

InChI

InChI=1S/C4H12N2O2S/c1-6-9(7,8)4-2-3-5/h6H,2-5H2,1H3

InChIKey

OXIUGKFUBWICRY-UHFFFAOYSA-N

Compound name

3-amino-N-methylpropane-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 152.06195 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]+	153.069226	129.4
[M+Na]+	175.051168	136.4
[M-H]-	151.054674	129.4
[M+NH4]+	170.095773	150.1
[M+K]+	191.025108	134.7
[M+H-H2O]+	135.059210	124.1
[M+HCOO]-	197.060151	148.7
[M+CH3COO]-	211.075801	176.6
[M+Na-2H]-	173.036616	134.1
[M]+	152.06140142	130.1
[M]-	152.06249858	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe