CID 13293492

90921-53-2

Structural Information

Molecular Formula

C₁₀H₁₁NOS

SMILES

CC1(C(=O)NC2=CC=CC=C2S1)C

InChI

InChI=1S/C10H11NOS/c1-10(2)9(12)11-7-5-3-4-6-8(7)13-10/h3-6H,1-2H3,(H,11,12)

InChIKey

KQXBYDQIOLXEDZ-UHFFFAOYSA-N

Compound name

2,2-dimethyl-4H-1,4-benzothiazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 29
Patents: 193.05614 Da
Monoisotopic Mass: 2.0
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]+	194.063416	137.8
[M+Na]+	216.045358	147.0
[M-H]-	192.048864	139.9
[M+NH4]+	211.089963	159.3
[M+K]+	232.019298	142.9
[M+H-H2O]+	176.053400	132.6
[M+HCOO]-	238.054341	151.6
[M+CH3COO]-	252.069991	150.5
[M+Na-2H]-	214.030806	143.3
[M]+	193.05559142	137.0
[M]-	193.05668858	137.0

Literature stripe

literature stripe

Patent stripe

patents stripe