CID 3856040

202198-18-3

Structural Information

Molecular Formula

C₄H₁₁NO₂S

SMILES

CNCCS(=O)(=O)C

InChI

InChI=1S/C4H11NO2S/c1-5-3-4-8(2,6)7/h5H,3-4H2,1-2H3

InChIKey

GCPNZCTVVWEQKX-UHFFFAOYSA-N

Compound name

N-methyl-2-methylsulfonylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 345
Patents: 137.05106 Da
Monoisotopic Mass: -0.8
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]+	138.05834	128.3
[M+Na]+	160.04028	137.0
[M+NH4]+	155.08488	135.8
[M+K]+	176.01422	130.9
[M-H]-	136.04378	127.2
[M+Na-2H]-	158.02573	131.1
[M]+	137.05051	129.4
[M]-	137.05161	129.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe