CID 43445966

947664-88-2

Structural Information

Molecular Formula

C₅H₁₃NO₃S

SMILES

COCCS(=O)(=O)CCN

InChI

InChI=1S/C5H13NO3S/c1-9-3-5-10(7,8)4-2-6/h2-6H2,1H3

InChIKey

IDXQMJBXZWTUIU-UHFFFAOYSA-N

Compound name

2-(2-methoxyethylsulfonyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 167.06161 Da
Monoisotopic Mass: -1.5
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]+	168.06889	135.4
[M+Na]+	190.05083	143.1
[M+NH4]+	185.09543	141.9
[M+K]+	206.02477	137.6
[M-H]-	166.05433	133.5
[M+Na-2H]-	188.03628	137.1
[M]+	167.06106	136.0
[M]-	167.06216	136.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe