CID 16778503

2-(n-methylethanesulfonamido)acetic acid

Structural Information

Molecular Formula

C₅H₁₁NO₄S

SMILES

CCS(=O)(=O)N(C)CC(=O)O

InChI

InChI=1S/C5H11NO4S/c1-3-11(9,10)6(2)4-5(7)8/h3-4H2,1-2H3,(H,7,8)

InChIKey

OLAMHKTVMOHSFJ-UHFFFAOYSA-N

Compound name

2-[ethylsulfonyl(methyl)amino]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 181.04088 Da
Monoisotopic Mass: -0.5
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]+	182.04816	134.8
[M+Na]+	204.03010	141.8
[M-H]-	180.03360	135.5
[M+NH4]+	199.07470	154.7
[M+K]+	220.00404	141.8
[M+H-H2O]+	164.03814	129.8
[M+HCOO]-	226.03908	152.3
[M+CH3COO]-	240.05473	180.2
[M+Na-2H]-	202.01555	137.9
[M]+	181.04033	138.8
[M]-	181.04143	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe