CID 533845

N-(2-aminoethyl)methanesulfonamide hydrochloride

Structural Information

Molecular Formula

C₃H₁₀N₂O₂S

SMILES

CS(=O)(=O)NCCN

InChI

InChI=1S/C3H10N2O2S/c1-8(6,7)5-3-2-4/h5H,2-4H2,1H3

InChIKey

GCDZDXVTDCMNMN-UHFFFAOYSA-N

Compound name

N-(2-aminoethyl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 695
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	125.0
[M+Na]+	161.035518	132.4
[M-H]-	137.039024	125.2
[M+NH4]+	156.080123	146.2
[M+K]+	177.009458	131.0
[M+H-H2O]+	121.043560	119.9
[M+HCOO]-	183.044501	144.7
[M+CH3COO]-	197.060151	173.5
[M+Na-2H]-	159.020966	130.1
[M]+	138.04575142	125.3
[M]-	138.04684858	125.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe