CID 3745455

6-methylbenzothiazole

Structural Information

Molecular Formula

SMILES

CC1=CC2=C(C=C1)N=CS2

InChI

InChI=1S/C8H7NS/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3

InChIKey

IVKILQAPNDCUNJ-UHFFFAOYSA-N

Compound name

6-methyl-1,3-benzothiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3515
Patents: 149.02992 Da
Monoisotopic Mass: 2.4
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]+	150.03720	126.1
[M+Na]+	172.01914	140.9
[M+NH4]+	167.06374	137.2
[M+K]+	187.99308	132.9
[M-H]-	148.02264	129.5
[M+Na-2H]-	170.00459	134.1
[M]+	149.02937	129.9
[M]-	149.03047	129.9

Literature stripe

literature stripe

Patent stripe

patents stripe