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

0
Patents

181.04088 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.04816 138.0
[M+Na]+ 204.03010 144.9
[M+NH4]+ 199.07470 143.6
[M+K]+ 220.00404 141.2
[M-H]- 180.03360 135.1
[M+Na-2H]- 202.01555 139.0
[M]+ 181.04033 138.1
[M]- 181.04143 138.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.