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]+ 255.04341 152.6
[M+Na]+ 277.02535 162.4
[M+NH4]+ 272.06995 160.6
[M+K]+ 292.99929 156.6
[M-H]- 253.02885 152.5
[M+Na-2H]- 275.01080 157.6
[M]+ 254.03558 154.2
[M]- 254.03668 154.2
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.