CID 787095

2941-73-3

Structural Information

Molecular Formula

C₁₀H₁₂N₂S

SMILES

CC1=NC2=C(S1)C=C(C=C2)N(C)C

InChI

InChI=1S/C10H12N2S/c1-7-11-9-5-4-8(12(2)3)6-10(9)13-7/h4-6H,1-3H3

InChIKey

XYORHVBAYQHCHM-UHFFFAOYSA-N

Compound name

N,N,2-trimethyl-1,3-benzothiazol-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 13
Patents: 192.07211 Da
Monoisotopic Mass: 2.9
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]+	193.079386	138.4
[M+Na]+	215.061328	149.6
[M-H]-	191.064834	144.3
[M+NH4]+	210.105933	161.3
[M+K]+	231.035268	147.1
[M+H-H2O]+	175.069370	132.3
[M+HCOO]-	237.070311	159.8
[M+CH3COO]-	251.085961	153.4
[M+Na-2H]-	213.046776	142.9
[M]+	192.07156142	144.0
[M]-	192.07265858	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe