CID 54676531

35511-14-9

Structural Information

Molecular Formula

C₁₀H₉NO₅S

SMILES

COC(=O)C1=C(C2=CC=CC=C2S(=O)(=O)N1)O

InChI

InChI=1S/C10H9NO5S/c1-16-10(13)8-9(12)6-4-2-3-5-7(6)17(14,15)11-8/h2-5,11-12H,1H3

InChIKey

GEUURTZIEGFZAG-UHFFFAOYSA-N

Compound name

methyl 4-hydroxy-1,1-dioxo-2H-1lambda6,2-benzothiazine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 42
Patents: 255.02014 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	256.02742	151.5
[M+Na]+	278.00936	162.9
[M+NH4]+	273.05396	159.1
[M+K]+	293.98330	155.1
[M-H]-	254.01286	150.7
[M+Na-2H]-	275.99481	156.3
[M]+	255.01959	153.2
[M]-	255.02069	153.2

Literature stripe

literature stripe

Patent stripe

patents stripe