CID 84712

14933-76-7

Structural Information

Molecular Formula

C₁₀H₁₂NS

SMILES

CC[N+]1=C(SC2=CC=CC=C21)C

InChI

InChI=1S/C10H12NS/c1-3-11-8(2)12-10-7-5-4-6-9(10)11/h4-7H,3H2,1-2H3/q+1

InChIKey

OGRZMXBJGTZUGN-UHFFFAOYSA-N

Compound name

3-ethyl-2-methyl-1,3-benzothiazol-3-ium

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 844
Patents: 178.06905 Da
Monoisotopic Mass: 3.2
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]+	179.07633	131.6
[M+Na]+	201.05827	148.4
[M+NH4]+	196.10287	143.5
[M+K]+	217.03221	140.8
[M-H]-	177.06177	136.7
[M+Na-2H]-	199.04372	140.0
[M]+	178.06850	136.5
[M]-	178.06960	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe