CID 4962495

854357-50-9

Structural Information

Molecular Formula
C10H10N2O4S
SMILES
CN(CC(=O)O)C1=NS(=O)(=O)C2=CC=CC=C21
InChI
InChI=1S/C10H10N2O4S/c1-12(6-9(13)14)10-7-4-2-3-5-8(7)17(15,16)11-10/h2-5H,6H2,1H3,(H,13,14)
InChIKey
WYAVGKBCFWUKSR-UHFFFAOYSA-N
Compound name
2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

254.03613 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.043406 150.4
[M+Na]+ 277.025348 160.5
[M-H]- 253.028854 154.6
[M+NH4]+ 272.069953 171.3
[M+K]+ 292.999288 158.5
[M+H-H2O]+ 237.033390 145.2
[M+HCOO]- 299.034331 169.1
[M+CH3COO]- 313.049981 191.8
[M+Na-2H]- 275.010796 154.7
[M]+ 254.03558142 156.0
[M]- 254.03667858 156.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.