CID 54595513

Methyl 3-[(chlorosulfonyl)(methyl)amino]propanoate

Structural Information

Molecular Formula

C₅H₁₀ClNO₄S

SMILES

CN(CCC(=O)OC)S(=O)(=O)Cl

InChI

InChI=1S/C5H10ClNO4S/c1-7(12(6,9)10)4-3-5(8)11-2/h3-4H2,1-2H3

InChIKey

SQTDUFWMFSDGBA-UHFFFAOYSA-N

Compound name

methyl 3-[chlorosulfonyl(methyl)amino]propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 215.0019 Da
Monoisotopic Mass: 0.1
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]+	216.00918	139.3
[M+Na]+	237.99112	147.4
[M-H]-	213.99462	141.7
[M+NH4]+	233.03572	159.6
[M+K]+	253.96506	146.4
[M+H-H2O]+	197.99916	135.4
[M+HCOO]-	260.00010	154.0
[M+CH3COO]-	274.01575	185.9
[M+Na-2H]-	235.97657	142.7
[M]+	215.00135	146.9
[M]-	215.00245	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe