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]+ 242.048156 148.5
[M+Na]+ 264.030098 158.6
[M-H]- 240.033604 151.1
[M+NH4]+ 259.074703 169.7
[M+K]+ 280.004038 155.4
[M+H-H2O]+ 224.038140 144.0
[M+HCOO]- 286.039081 164.4
[M+CH3COO]- 300.054731 183.8
[M+Na-2H]- 262.015546 151.8
[M]+ 241.04033142 152.3
[M]- 241.04142858 152.3
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

No patent data available for this compound.