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 150.4
[M+Na]+ 277.02535 160.5
[M-H]- 253.02885 154.6
[M+NH4]+ 272.06995 171.3
[M+K]+ 292.99929 158.5
[M+H-H2O]+ 237.03339 145.2
[M+HCOO]- 299.03433 169.1
[M+CH3COO]- 313.04998 191.8
[M+Na-2H]- 275.01080 154.7
[M]+ 254.03558 156.0
[M]- 254.03668 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.