CID 210607

21416-93-3

Structural Information

Molecular Formula
C10H11NO4S
SMILES
COC(=O)CC1C2=CC=CC=C2S(=O)(=O)N1
InChI
InChI=1S/C10H11NO4S/c1-15-10(12)6-8-7-4-2-3-5-9(7)16(13,14)11-8/h2-5,8,11H,6H2,1H3
InChIKey
RCLRCEOXSRMFPJ-UHFFFAOYSA-N
Compound name
methyl 2-(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.04088 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.04816 151.1
[M+Na]+ 264.03010 161.2
[M+NH4]+ 259.07470 159.4
[M+K]+ 280.00404 154.5
[M-H]- 240.03360 150.3
[M+Na-2H]- 262.01555 155.1
[M]+ 241.04033 152.6
[M]- 241.04143 152.6
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.