CID 65552726

1-aminopropane-2-sulfonamide hydrochloride

Structural Information

Molecular Formula

C₃H₁₀N₂O₂S

SMILES

CC(CN)S(=O)(=O)N

InChI

InChI=1S/C3H10N2O2S/c1-3(2-4)8(5,6)7/h3H,2,4H2,1H3,(H2,5,6,7)

InChIKey

LQVAQUHURBYBSG-UHFFFAOYSA-N

Compound name

1-aminopropane-2-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 138.0463 Da
Monoisotopic Mass: -1.6
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]+	139.053576	125.7
[M+Na]+	161.035518	132.7
[M-H]-	137.039024	125.3
[M+NH4]+	156.080123	146.5
[M+K]+	177.009458	131.5
[M+H-H2O]+	121.043560	120.6
[M+HCOO]-	183.044501	143.6
[M+CH3COO]-	197.060151	173.7
[M+Na-2H]-	159.020966	128.6
[M]+	138.04575142	124.3
[M]-	138.04684858	124.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe