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: 9
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]+	193.07939	139.1
[M+Na]+	215.06133	152.7
[M+NH4]+	210.10593	149.5
[M+K]+	231.03527	145.3
[M-H]-	191.06483	143.0
[M+Na-2H]-	213.04678	146.3
[M]+	192.07156	142.7
[M]-	192.07266	142.7

Literature stripe

literature stripe

Patent stripe

patents stripe