CID 3393051

299464-21-4

Structural Information

Molecular Formula

C₄H₁₀N₂O₄S

SMILES

CN(C)S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C4H10N2O4S/c1-6(2)11(9,10)5-3-4(7)8/h5H,3H2,1-2H3,(H,7,8)

InChIKey

LPEFHGNOQILWOZ-UHFFFAOYSA-N

Compound name

2-(dimethylsulfamoylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.03613 Da
Monoisotopic Mass: -1.2
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]+	183.04341	134.3
[M+Na]+	205.02535	140.6
[M-H]-	181.02885	134.8
[M+NH4]+	200.06995	153.5
[M+K]+	220.99929	140.7
[M+H-H2O]+	165.03339	128.8
[M+HCOO]-	227.03433	152.9
[M+CH3COO]-	241.04998	182.3
[M+Na-2H]-	203.01080	138.2
[M]+	182.03558	136.8
[M]-	182.03668	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.