CID 16228311

923176-95-8

Structural Information

Molecular Formula
C4H9NO4S
SMILES
CCS(=O)(=O)NCC(=O)O
InChI
InChI=1S/C4H9NO4S/c1-2-10(8,9)5-3-4(6)7/h5H,2-3H2,1H3,(H,6,7)
InChIKey
BIMGNSFDPAFWTK-UHFFFAOYSA-N
Compound name
2-(ethylsulfonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

167.02522 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.03250 131.1
[M+Na]+ 190.01444 138.2
[M-H]- 166.01794 130.3
[M+NH4]+ 185.05904 150.7
[M+K]+ 205.98838 137.0
[M+H-H2O]+ 150.02248 126.3
[M+HCOO]- 212.02342 148.3
[M+CH3COO]- 226.03907 173.8
[M+Na-2H]- 187.99989 135.1
[M]+ 167.02467 133.3
[M]- 167.02577 133.3
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

patents stripe